Glycoside
GD119956
Name:
Catechin-(4Alpha-8)-7-O-Beta-Xylopyranosyl-CatechinFormula:
C35H34O16Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(OC2OCC(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2Aglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.31 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 710.64 | Num_heavy_atoms: | 51 |
| TPSA: | 279.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD45065
Formula: C30H26O12
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 12 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.2 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 578.53 | Num_heavy_atoms: | 42 |
| TPSA: | 220.76 | NumAromaticRings: | 4 |
