Glycoside
...
GD007082

Name:
None

Formula:
C67H76O25N9Cl

Smiles:
C[C@@H]1O[C@H](O[C@@H]2c3cccc(c3)Oc3cc4cc(c3O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3C[C@@](C)(N)[C@@H](O)[C@H](C)O3)Oc3ccc(cc3Cl)[C@H](O)[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]4C(=O)N[C@@H]3C(=O)N[C@@H]2C(=O)N[C@H](C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)C[C@@](C)(N)[C@@H]1O

Aglycone:
CC1OC(O)CC(C)(N)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: 12
HBD: 23 FractionCSP3: 0.44
AlogP: -1.1 Num_rotatable_bonds: 10
MolWt: 1430.83 Num_heavy_atoms: 101
TPSA: 559.86 NumAromaticRings: 5

Unique Aglycone
AD00183
Formula: C7H15O3N

Smiles:
CC1OC(O)CC(C)(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -0.81 Num_rotatable_bonds: 0
MolWt: 161.2 Num_heavy_atoms: 11
TPSA: 75.71 NumAromaticRings: 0
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