Glycoside

GD127274
Name:
2-({3-[4,5-dihydroxy-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)phenyl]-3-(3,4-dihydroxyphenyl)propanoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acidFormula:
C32H36O16Smiles:
O=C(CC(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1CCOC1OC(CO)C(O)C(O)C1O)OC(Cc1ccc(O)c(O)c1)C(=O)OAglycone:
O=C(CC(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1CCO)OC(Cc1ccc(O)c(O)c1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 4 |
HBD: | 11 | FractionCSP3: | 0.38 |
AlogP: | 0.04 | Num_rotatable_bonds: | 13 |
MolWt: | 676.62 | Num_heavy_atoms: | 48 |
TPSA: | 284.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD45106
Formula: C26H26O11
Smiles:
O=C(CC(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1CCO)OC(Cc1ccc(O)c(O)c1)C(=O)OHBA: | 11 | RingCount: | 3 |
HBD: | 8 | FractionCSP3: | 0.23 |
AlogP: | 2.22 | Num_rotatable_bonds: | 10 |
MolWt: | 514.48 | Num_heavy_atoms: | 37 |
TPSA: | 205.21 | NumAromaticRings: | 3 |