Glycoside
...
GD097997

Name:
None

Formula:
C20H25O9N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(C3=CNCCC3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(C2=CNCCC2)c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.55
AlogP: -0.42 Num_rotatable_bonds: 6
MolWt: 451.43 Num_heavy_atoms: 32
TPSA: 155.02 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
AD41690
Formula: C9H11O2N3

Smiles:
O=c1[nH]cc(C2=CNCCC2)c(=O)[nH]1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.21 Num_rotatable_bonds: 1
MolWt: 193.21 Num_heavy_atoms: 14
TPSA: 77.75 NumAromaticRings: 1

Sugarmoiety
SD00105

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