Glycoside
...
GD018974

Name:
None

Formula:
C35H30O11N2S3

Smiles:
CC(=O)OCC1OC(SC2=NC(=Cc3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.O=C1C(=Cc2cc3c(=O)c4ccccc4sc3s2)N=C(S)N1c1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 0 FractionCSP3: 0.29
AlogP: 5.04 Num_rotatable_bonds: 8
MolWt: 750.83 Num_heavy_atoms: 51
TPSA: 164.17 NumAromaticRings: 4

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
AD13297
Formula: C21H12O2N2S3

Smiles:
O=C1C(=Cc2cc3c(=O)c4ccccc4sc3s2)N=C(S)N1c1ccccc1
HBA: 4 RingCount: 5
HBD: 0 FractionCSP3: 0.0
AlogP: 5.15 Num_rotatable_bonds: 2
MolWt: 420.54 Num_heavy_atoms: 28
TPSA: 49.74 NumAromaticRings: 4

Sugarmoiety
SD00012

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