Glycoside
GD130349
Name:
Kaempferol 3-O-α-L-Rhamnopyranosyl (1†’6)-O-[β -D-Glucopyranosyl (1†’3)-O-α-L-Rhamnopyranosyl-(1†’2)]-O-β -D-GlucopyranosylFormula:
C39H50O24Smiles:
CC1OC(OCC2OC(OC3C(O)C(C)OC(OC4C(Oc5c(-c6ccc(O)cc6)oc6cc(O)cc(O)c6c5=O)OC(CO)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(OC3C(O)C(C)OC(OC4C(O)OC(CO)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.62 |
| AlogP: | -4.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 902.81 | Num_heavy_atoms: | 63 |
| TPSA: | 387.27 | NumAromaticRings: | 3 |
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 |
