Glycoside
...
GD097531

Name:
None

Formula:
C21H28O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC[C@@H]3CCNC(=O)C3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1CC(CNc2c[nH]c(=O)[nH]c2=O)CCN1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 3 FractionCSP3: 0.62
AlogP: -1.2 Num_rotatable_bonds: 8
MolWt: 496.47 Num_heavy_atoms: 35
TPSA: 184.12 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
AD41490
Formula: C10H14O3N4

Smiles:
O=C1CC(CNc2c[nH]c(=O)[nH]c2=O)CCN1
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.5
AlogP: -1.0 Num_rotatable_bonds: 3
MolWt: 238.25 Num_heavy_atoms: 17
TPSA: 106.85 NumAromaticRings: 1

Sugarmoiety
SD00105

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