Glycoside
...
GD087502

Name:
None

Formula:
C15H25O10N3S

Smiles:
CC1(C)COc2c(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cnn2C1

Aglycone:
CC1(C)COc2c(C(N)=O)cnn2C1.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.73
AlogP: -1.01 Num_rotatable_bonds: 5
MolWt: 439.44 Num_heavy_atoms: 29
TPSA: 195.99 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD31583
Formula: C9H13O2N3

Smiles:
CC1(C)COc2c(C(N)=O)cnn2C1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.56
AlogP: 0.4 Num_rotatable_bonds: 1
MolWt: 195.22 Num_heavy_atoms: 14
TPSA: 70.14 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O