Glycoside

GD144979
Name:
3-hydroxy-4-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoic acidFormula:
C20H28O14Smiles:
COc1c(OC2OC(C)C(O)C(O)C2O)cc(C(=O)O)c(C2OC(CO)C(O)C(O)C2O)c1OAglycone:
COc1c(O)cc(C(=O)O)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 9 | FractionCSP3: | 0.65 |
AlogP: | -3.18 | Num_rotatable_bonds: | 6 |
MolWt: | 492.43 | Num_heavy_atoms: | 34 |
TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD45901
Formula: C8H8O5
Smiles:
COc1c(O)cc(C(=O)O)cc1OHBA: | 5 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.12 |
AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
MolWt: | 184.15 | Num_heavy_atoms: | 13 |
TPSA: | 86.99 | NumAromaticRings: | 1 |