Glycoside
GD153781
Name:
Kaempferol 3-Rhamnoside-7-[6'''-Ferulyglucosyl-(1->3)-Rhamnoside]Formula:
C43H48O22Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3C(O)C(C)OC(Oc4cc(O)c5c(=O)c(OC6OC(C)C(O)C(O)C6O)c(-c6ccc(O)cc6)oc5c4)C3O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 12 |
| MolWt: | 916.84 | Num_heavy_atoms: | 65 |
| TPSA: | 343.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
