Glycoside
GD117405
Name:
Wanepimedoside AFormula:
C33H42O15Smiles:
COc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 678.68 | Num_heavy_atoms: | 48 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD46804
Formula: C21H22O7
Smiles:
COc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
