Glycoside
...
GD019006

Name:
None

Formula:
C90H102O26N10Cl2

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@](C)(C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](C[C@@H]3C[C@@](C)(N)[C@H](O)[C@H](C)O3)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)(NCc3ccc(Oc4ccccc4)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC1OC(O)CC(C)(NCc2ccc(Oc3ccccc3)cc2)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C)(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(CC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

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

Other Identifiers

Properties
HBA: 36 RingCount: 15
HBD: 22 FractionCSP3: 0.43
AlogP: 4.82 Num_rotatable_bonds: 20
MolWt: 1786.73 Num_heavy_atoms: 126
TPSA: 560.98 NumAromaticRings: 7

Unique Aglycone
AD08792
Formula: C64H69O18N9Cl2

Smiles:
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C)(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(CC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 27 RingCount: 11
HBD: 18 FractionCSP3: 0.39
AlogP: 3.48 Num_rotatable_bonds: 10
MolWt: 1299.18 Num_heavy_atoms: 91
TPSA: 442.11 NumAromaticRings: 5
AD13318
Formula: C20H25O4N

Smiles:
CC1OC(O)CC(C)(NCc2ccc(Oc3ccccc3)cc2)C1O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 2.82 Num_rotatable_bonds: 5
MolWt: 343.42 Num_heavy_atoms: 25
TPSA: 70.95 NumAromaticRings: 2

Sugarmoiety
SD00003

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