Glycoside
GD128488
Name:
Nepetin 7-Rhamnoside-3'-XylosideFormula:
C27H30O15Smiles:
COc1c(OC2OC(C)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(OC4OCC(O)C(O)C4O)c3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD09185
Formula: C16H12O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
