Glycoside
...
GD027048

Name:
None

Formula:
C150H158O50N20Cl4

Smiles:
CN[C@@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2C[C@](C)(NCc3cccc4nc5cc(N)c(=O)c(CN[C@]6(C)C[C@@H](O[C@H]7[C@H](Oc8c9cc%10cc8Oc8ccc(cc8Cl)[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]%10C(=O)N[C@@H]8C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c%10cc(O)cc(O)c%10-c%10cc8ccc%10O)[C@H](O)c8ccc(c(Cl)c8)O9)O[C@H](CO)[C@H](O)[C@@H]7O)O[C@@H](C)[C@H]6O)c-5oc34)[C@H](O)[C@@H](C)O2)Oc2ccc(cc2Cl)[C@@H]1O

Aglycone:
CC1OC(O)CC(C)(NCc2c3oc4c(CNC5(C)CC(O)OC(C)C5O)cccc4nc-3cc(N)c2=O)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 70 RingCount: 27
HBD: 42 FractionCSP3: 0.4
AlogP: 2.38 Num_rotatable_bonds: 32
MolWt: 3134.77 Num_heavy_atoms: 220
TPSA: 1102.12 NumAromaticRings: 11

Unique Aglycone
AD00637
Formula: C55H52O17N8Cl2

Smiles:
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 25 RingCount: 10
HBD: 16 FractionCSP3: 0.28
AlogP: 2.4 Num_rotatable_bonds: 8
MolWt: 1143.94 Num_heavy_atoms: 80
TPSA: 406.86 NumAromaticRings: 5
AD17800
Formula: C28H38O8N4

Smiles:
CC1OC(O)CC(C)(NCc2c3oc4c(CNC5(C)CC(O)OC(C)C5O)cccc4nc-3cc(N)c2=O)C1O
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.57
AlogP: 0.55 Num_rotatable_bonds: 6
MolWt: 558.63 Num_heavy_atoms: 40
TPSA: 192.56 NumAromaticRings: 1

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O