Glycoside
...
GD020931

Name:
None

Formula:
C23H26O11N4S

Smiles:
CC(=O)OCC1OC(NC(=S)Nn2c(=O)[nH]c3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)Nn1c(=O)[nH]c2ccccc2c1=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 3 FractionCSP3: 0.43
AlogP: -0.81 Num_rotatable_bonds: 7
MolWt: 566.55 Num_heavy_atoms: 39
TPSA: 193.35 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
AD14368
Formula: C9H8O2N4S

Smiles:
NC(=S)Nn1c(=O)[nH]c2ccccc2c1=O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -0.52 Num_rotatable_bonds: 1
MolWt: 236.26 Num_heavy_atoms: 16
TPSA: 92.91 NumAromaticRings: 2

Sugarmoiety
SD00012

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