Glycoside
GD118742
Name:
Kaempferol 3-Glucosyl-(1->2)-Rhamnoside-7-(6''-(E)-P-Coumaroylglucoside)Formula:
C42H46O22Smiles:
CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)cc(O)c3c2=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.43 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 12 |
| MolWt: | 902.81 | Num_heavy_atoms: | 64 |
| TPSA: | 354.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
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 |
