Glycoside
...
GD098937

Name:
None

Formula:
C21H29O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc3c(nn2)CC[NH2+]C3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1cc2c(nn1)CC[NH2+]C2

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.62
AlogP: -1.41 Num_rotatable_bonds: 7
MolWt: 481.48 Num_heavy_atoms: 34
TPSA: 168.85 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
AD42102
Formula: C7H11N4

Smiles:
Nc1cc2c(nn1)CC[NH2+]C2
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.43
AlogP: -1.32 Num_rotatable_bonds: 0
MolWt: 151.19 Num_heavy_atoms: 11
TPSA: 68.41 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O