Glycoside
GD144480
Name:
4''-O-Beta-D-Glucopyranosyl-CaffeoylcalleryaninFormula:
C28H34O16Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD58065
Formula: C16H14O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
