Glycoside
GD120701
Name:
(3S)-O-Alpha-L-Rhamnopyranosyl-(1-3)-[4-O-(E)-Coumaroyl]-Alpha-L-Rhamnopy+Formula:
C37H54O16Smiles:
C=CC(C)(CCC=C(C)C)OC1OC(COC2OC(C)C(OC(=O)C=Cc3ccc(O)cc3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 14 |
| MolWt: | 754.82 | Num_heavy_atoms: | 53 |
| TPSA: | 243.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD10262
Formula: C10H18O
Smiles:
C=CC(C)(O)CCC=C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
