Glycoside
...
GD037075

Name:
None

Formula:
C32H36O10N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCCC4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1c2c3c(sc2nc(S)n1Cc1ccccc1)CCCCC3

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 0 FractionCSP3: 0.5
AlogP: 3.95 Num_rotatable_bonds: 9
MolWt: 672.78 Num_heavy_atoms: 46
TPSA: 149.32 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
AD23380
Formula: C18H18ON2S2

Smiles:
O=c1c2c3c(sc2nc(S)n1Cc1ccccc1)CCCCC3
HBA: 3 RingCount: 4
HBD: 0 FractionCSP3: 0.33
AlogP: 4.06 Num_rotatable_bonds: 2
MolWt: 342.49 Num_heavy_atoms: 23
TPSA: 34.89 NumAromaticRings: 3

Sugarmoiety
SD00012

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