Glycoside
...
GD011315

Name:
None

Formula:
C81H85O25N9Cl2

Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@@H]3C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)c5cc(O)cc(O)c5-c5cc3ccc5O)[C@H](O[C@@H]3C[C@@](C)(N)[C@@H](O)[C@H](C)O3)c3cccc(c3)O4)O[C@H](CO)[C@H](O)[C@@H]2O)C[C@@](C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)[C@@H]1O

Aglycone:
CC1OC(O)CC(C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)C1O.CC1OC(OC2c3cccc(c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(N)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)CC(C)(N)C1O

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

Other Identifiers

Properties
HBA: 34 RingCount: 14
HBD: 22 FractionCSP3: 0.38
AlogP: 3.05 Num_rotatable_bonds: 14
MolWt: 1631.49 Num_heavy_atoms: 115
TPSA: 545.87 NumAromaticRings: 7

Unique Aglycone
AD00714
Formula: C21H24O3NCl

Smiles:
CC1OC(O)CC(C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)C1O
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 3.34 Num_rotatable_bonds: 4
MolWt: 361.87 Num_heavy_atoms: 25
TPSA: 61.72 NumAromaticRings: 2
AD04024
Formula: C54H53O18N8Cl

Smiles:
CC1OC(OC2c3cccc(c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(N)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)CC(C)(N)C1O
HBA: 26 RingCount: 10
HBD: 18 FractionCSP3: 0.3
AlogP: 1.19 Num_rotatable_bonds: 5
MolWt: 1125.5 Num_heavy_atoms: 80
TPSA: 436.23 NumAromaticRings: 5

Sugarmoiety
SD00003

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