Glycoside
...
GD095401

Name:
None

Formula:
C18H25O11N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC[C@@H](O)CO)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(NCC(O)CO)c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 4 FractionCSP3: 0.61
AlogP: -2.37 Num_rotatable_bonds: 9
MolWt: 459.41 Num_heavy_atoms: 32
TPSA: 195.48 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
AD40724
Formula: C7H11O4N3

Smiles:
O=c1[nH]cc(NCC(O)CO)c(=O)[nH]1
HBA: 7 RingCount: 1
HBD: 5 FractionCSP3: 0.43
AlogP: -2.17 Num_rotatable_bonds: 4
MolWt: 201.18 Num_heavy_atoms: 14
TPSA: 118.21 NumAromaticRings: 1

Sugarmoiety
SD00105

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