Glycoside
...
GD109582

Name:
None

Formula:
C26H26O10N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1NC(=S)SC1=Cc1c[nH]c2ccccc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 1 FractionCSP3: 0.38
AlogP: 2.45 Num_rotatable_bonds: 7
MolWt: 590.63 Num_heavy_atoms: 40
TPSA: 150.53 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
AD44559
Formula: C12H8ON2S2

Smiles:
O=C1NC(=S)SC1=Cc1c[nH]c2ccccc12
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.66 Num_rotatable_bonds: 1
MolWt: 260.34 Num_heavy_atoms: 17
TPSA: 44.89 NumAromaticRings: 2

Sugarmoiety
SD00012

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