Glycoside
...
GD024502

Name:
None

Formula:
C26H31O12N

Smiles:
CC#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(=O)c(C(=O)OCC)c(O)oc3c2C)OC(C)(C)[C@H]1OC

Aglycone:
CC#CCONC(=O)O.CCOC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: 1.92 Num_rotatable_bonds: 8
MolWt: 549.53 Num_heavy_atoms: 39
TPSA: 172.22 NumAromaticRings: 2

Unique Aglycone
AD02315
Formula: C13H12O6

Smiles:
CCOC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 1.69 Num_rotatable_bonds: 2
MolWt: 264.23 Num_heavy_atoms: 19
TPSA: 96.97 NumAromaticRings: 2
AD16343
Formula: C5H7O3N

Smiles:
CC#CCONC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.4
AlogP: 0.21 Num_rotatable_bonds: 2
MolWt: 129.12 Num_heavy_atoms: 9
TPSA: 58.56 NumAromaticRings: 0

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C