Glycoside
GD150701
Name:
CaffeoylcalleryaninFormula:
C22H24O11Smiles:
O=C(C=Cc1ccc(O)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)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 186.37 | 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 |
