Glycoside
...
GD018478

Name:
None

Formula:
C26H29O10N

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

Aglycone:
Cc1c(CC(=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: 0.42
AlogP: 2.4 Num_rotatable_bonds: 7
MolWt: 515.52 Num_heavy_atoms: 37
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
AD13033
Formula: C13H12O5

Smiles:
Cc1c(CC(=O)O)c(=O)oc2c(C)c(O)ccc12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 1.74 Num_rotatable_bonds: 2
MolWt: 248.23 Num_heavy_atoms: 18
TPSA: 87.74 NumAromaticRings: 2

Sugarmoiety
SD00158

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