Glycoside
...
GD002417

Name:
None

Formula:
C25H29O11N

Smiles:
C#CCNC(=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:
C#CCNC(=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: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.48
AlogP: 1.6 Num_rotatable_bonds: 7
MolWt: 519.5 Num_heavy_atoms: 37
TPSA: 162.99 NumAromaticRings: 2

Unique Aglycone
AD02314
Formula: C4H5O2N

Smiles:
C#CCNC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.25
AlogP: -0.11 Num_rotatable_bonds: 1
MolWt: 99.09 Num_heavy_atoms: 7
TPSA: 49.33 NumAromaticRings: 0
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

Sugarmoiety
SD00066

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