Glycoside
GD142606
Name:
6-{[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]methyl}-4,5-dihydroxyoxan-3-yl 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoateFormula:
C34H28O21Smiles:
O=C(OCC1OCC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(O)C1O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1Aglycone:
COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1.O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.18 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.58 | Num_heavy_atoms: | 55 |
| TPSA: | 357.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD05131
Formula: C15H12O9
Smiles:
COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.25 | Num_heavy_atoms: | 24 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
AD05132
Formula: C14H10O9
Smiles:
O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.22 | Num_heavy_atoms: | 23 |
| TPSA: | 164.75 | NumAromaticRings: | 2 |
