Glycoside
...
GD022637

Name:
None

Formula:
C28H26O9N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(-c3c(C)c4ccccc4oc3=O)nc3ccccc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1c(C2=Nc3ccccc3[N]2)c(=O)oc2ccccc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 0 FractionCSP3: 0.32
AlogP: 3.44 Num_rotatable_bonds: 6
MolWt: 534.52 Num_heavy_atoms: 39
TPSA: 136.16 NumAromaticRings: 4

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
AD14723
Formula: C17H11O2N2

Smiles:
Cc1c(C2=Nc3ccccc3[N]2)c(=O)oc2ccccc12
HBA: 4 RingCount: 4
HBD: 0 FractionCSP3: 0.06
AlogP: 3.43 Num_rotatable_bonds: 1
MolWt: 275.29 Num_heavy_atoms: 21
TPSA: 56.67 NumAromaticRings: 3

Sugarmoiety
SD00105

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