Glycoside
GD146911
Name:
Catechin-3-O-(3''-O-Trans-Cinnamoyl)-α-RhamnopyranosideFormula:
C30H30O10Smiles:
CC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)cc2)C(O)C(OC(=O)C=Cc2ccccc2)C1OAglycone:
O=C(O)C=Cc1ccccc1.Oc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.56 | Num_heavy_atoms: | 40 |
| TPSA: | 155.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD07043
Formula: C15H14O5
Smiles:
Oc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
