Glycoside
...
GD002810

Name:
None

Formula:
C27H31O10N

Smiles:
CO[C@@H]1[C@H](C)O[C@H](Oc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2C)[C@H](O)[C@H]1OC(=O)c1ccc(C)[nH]1

Aglycone:
Cc1c(CCC(=O)O)c(=O)oc2c(C)c(O)ccc12.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 3 FractionCSP3: 0.44
AlogP: 2.79 Num_rotatable_bonds: 8
MolWt: 529.54 Num_heavy_atoms: 38
TPSA: 157.52 NumAromaticRings: 3

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD02640
Formula: C14H14O5

Smiles:
Cc1c(CCC(=O)O)c(=O)oc2c(C)c(O)ccc12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 2.13 Num_rotatable_bonds: 3
MolWt: 262.26 Num_heavy_atoms: 19
TPSA: 87.74 NumAromaticRings: 2

Sugarmoiety
SD00158

COC1C(C)OC(O)C(O)C1O