Glycoside
...
GD006374

Name:
None

Formula:
C18H21O11N5

Smiles:
CC(=O)OCC1OC(n2c(=O)[nH]c(=O)c3nn[nH]c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]c(=O)c2nn[nH]c2[nH]1

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 2 FractionCSP3: 0.56
AlogP: -1.94 Num_rotatable_bonds: 6
MolWt: 483.39 Num_heavy_atoms: 34
TPSA: 210.86 NumAromaticRings: 2

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
AD05282
Formula: C4H3O2N5

Smiles:
O=c1[nH]c(=O)c2nn[nH]c2[nH]1
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -1.67 Num_rotatable_bonds: 0
MolWt: 153.1 Num_heavy_atoms: 11
TPSA: 107.29 NumAromaticRings: 2

Sugarmoiety
SD00012

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