Glycoside
...
GD104435

Name:
None

Formula:
C22H26O10N2

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2nc3cc(C)ccc3o2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc2oc(O)nc2c1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 1.17 Num_rotatable_bonds: 7
MolWt: 478.45 Num_heavy_atoms: 34
TPSA: 152.49 NumAromaticRings: 2

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
AD32222
Formula: C8H7O2N

Smiles:
Cc1ccc2oc(O)nc2c1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.12
AlogP: 1.84 Num_rotatable_bonds: 0
MolWt: 149.15 Num_heavy_atoms: 11
TPSA: 46.26 NumAromaticRings: 2

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O