Glycoside
...
GD108035

Name:
None

Formula:
C27H31O11N

Smiles:
CC(=O)N[C@H]1[C@H](Oc2ccc3c4c(c(=O)oc3c2)CCCC4)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1oc2cc(O)ccc2c2c1CCCC2

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 1 FractionCSP3: 0.52
AlogP: 1.71 Num_rotatable_bonds: 7
MolWt: 545.54 Num_heavy_atoms: 39
TPSA: 156.67 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
AD30272
Formula: C13H12O3

Smiles:
O=c1oc2cc(O)ccc2c2c1CCCC2
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.31
AlogP: 2.38 Num_rotatable_bonds: 0
MolWt: 216.24 Num_heavy_atoms: 16
TPSA: 50.44 NumAromaticRings: 2

Sugarmoiety
SD00131

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