Glycoside
...
GD095520

Name:
None

Formula:
C20H29O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]3C[NH2+]C[C@@H]3CO)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(NC2C[NH2+]CC2CO)c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.65
AlogP: -3.17 Num_rotatable_bonds: 8
MolWt: 485.47 Num_heavy_atoms: 34
TPSA: 191.86 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
AD40758
Formula: C9H15O3N4

Smiles:
O=c1[nH]cc(NC2C[NH2+]CC2CO)c(=O)[nH]1
HBA: 7 RingCount: 2
HBD: 6 FractionCSP3: 0.56
AlogP: -2.97 Num_rotatable_bonds: 3
MolWt: 227.24 Num_heavy_atoms: 16
TPSA: 114.59 NumAromaticRings: 1

Sugarmoiety
SD00105

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