Glycoside
...
GD006270

Name:
None

Formula:
C31H36O15N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(NC(=O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(C)(C)O[C@H]34)cn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)OC2C(C(=O)Nc3ccc(S)nc3)OC(n3ccc(=O)[nH]c3=O)C2O1.COC(C)=O

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 2 FractionCSP3: 0.55
AlogP: 0.16 Num_rotatable_bonds: 10
MolWt: 736.71 Num_heavy_atoms: 51
TPSA: 238.97 NumAromaticRings: 2

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
AD05201
Formula: C17H18O6N4S

Smiles:
CC1(C)OC2C(C(=O)Nc3ccc(S)nc3)OC(n3ccc(=O)[nH]c3=O)C2O1
HBA: 10 RingCount: 4
HBD: 2 FractionCSP3: 0.41
AlogP: 0.28 Num_rotatable_bonds: 3
MolWt: 406.42 Num_heavy_atoms: 28
TPSA: 124.54 NumAromaticRings: 2

Sugarmoiety
SD00012

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