Glycoside
...
GD108455

Name:
None

Formula:
C27H31O12N3S

Smiles:
CCOC(=O)/C(C(=N)S[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)=C1/NN=C(c2ccccc2)O1

Aglycone:
CCOC(=O)C(C(=N)S)=C1NN=C(c2ccccc2)O1.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 1.54 Num_rotatable_bonds: 10
MolWt: 621.62 Num_heavy_atoms: 43
TPSA: 198.2 NumAromaticRings: 1

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
AD44435
Formula: C13H13O3N3S

Smiles:
CCOC(=O)C(C(=N)S)=C1NN=C(c2ccccc2)O1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.15
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 291.33 Num_heavy_atoms: 20
TPSA: 83.77 NumAromaticRings: 1

Sugarmoiety
SD00012

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