Glycoside
...
GD095397

Name:
None

Formula:
C19H24O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC3(C(N)=O)CC3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)C1(Nc2c[nH]c(=O)[nH]c2=O)CC1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.58
AlogP: -1.71 Num_rotatable_bonds: 8
MolWt: 468.42 Num_heavy_atoms: 33
TPSA: 198.11 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
AD40720
Formula: C8H10O3N4

Smiles:
NC(=O)C1(Nc2c[nH]c(=O)[nH]c2=O)CC1
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.38
AlogP: -1.51 Num_rotatable_bonds: 3
MolWt: 210.19 Num_heavy_atoms: 15
TPSA: 120.84 NumAromaticRings: 1

Sugarmoiety
SD00105

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