Glycoside
GD138971
Name:
Epicatechin 3-O-(3-Trans-Cinnamoyl-Beta-D-Allopyranoside)Formula:
C30H30O12Smiles:
O=C(C=Cc1ccccc1)OC1C(O)C(CO)OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C1OAglycone:
O=C(O)C=Cc1ccccc1.Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 582.56 | Num_heavy_atoms: | 42 |
| TPSA: | 195.6 | 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 |
AD04299
Formula: C15H14O6
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
