Glycoside
...
GD026682

Name:
None

Formula:
C30H31O11N3S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(NC(=O)c3ccc4ccc(C)nc4c3O)cn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc2ccc(C(=O)Nc3ccc(S)nc3)c(O)c2n1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.37
AlogP: 3.07 Num_rotatable_bonds: 9
MolWt: 641.66 Num_heavy_atoms: 45
TPSA: 189.54 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD17577
Formula: C16H13O2N3S

Smiles:
Cc1ccc2ccc(C(=O)Nc3ccc(S)nc3)c(O)c2n1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.06
AlogP: 3.18 Num_rotatable_bonds: 2
MolWt: 311.37 Num_heavy_atoms: 22
TPSA: 75.11 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O