Glycoside
...
GD022798

Name:
None

Formula:
C75H81O25N9Cl2

Smiles:
COc1ccc(CN[C@@]2(C)C[C@H](O[C@@H]3[C@H](Oc4c5cc6cc4Oc4ccc(cc4Cl)[C@@H](O)[C@@H]4NC(=O)[C@@H](NC(=O)[C@@H]6NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](N)CC(C)C)[C@@H](O)c6ccc(c(Cl)c6)O5)c5ccc(O)c(c5)-c5c(O)cc(O)cc5[C@@H](C(=O)O)NC4=O)O[C@H](CO)[C@H](O)[C@H]3O)O[C@H](C)[C@H]2O)cc1

Aglycone:
CC(C)CC(N)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.COc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1

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

Other Identifiers

Properties
HBA: 34 RingCount: 13
HBD: 21 FractionCSP3: 0.4
AlogP: 1.69 Num_rotatable_bonds: 16
MolWt: 1555.39 Num_heavy_atoms: 109
TPSA: 539.72 NumAromaticRings: 6

Unique Aglycone
AD02788
Formula: C54H50O17N8Cl2

Smiles:
CC(C)CC(N)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: 17 FractionCSP3: 0.27
AlogP: 2.13 Num_rotatable_bonds: 7
MolWt: 1129.92 Num_heavy_atoms: 79
TPSA: 420.85 NumAromaticRings: 5
AD09093
Formula: C15H23O4N

Smiles:
COc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.6
AlogP: 1.03 Num_rotatable_bonds: 4
MolWt: 281.35 Num_heavy_atoms: 20
TPSA: 70.95 NumAromaticRings: 1

Sugarmoiety
SD00003

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