Glycoside
...
GD018201

Name:
None

Formula:
C35H38O12N4S

Smiles:
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)N[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]3OC)cccc12

Aglycone:
COC(C)=O.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(N)=O)cccc12

Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 3 FractionCSP3: 0.34
AlogP: 3.41 Num_rotatable_bonds: 12
MolWt: 738.77 Num_heavy_atoms: 52
TPSA: 206.78 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
AD07261
Formula: C22H20O4N4S

Smiles:
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(N)=O)cccc12
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.09
AlogP: 3.61 Num_rotatable_bonds: 6
MolWt: 436.49 Num_heavy_atoms: 31
TPSA: 123.41 NumAromaticRings: 4

Sugarmoiety
SD00410

COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O