Glycoside
GD036475
Name:
NoneFormula:
C44H58O13Smiles:
CCCCCCCCCC(=O)C=Cc1c(CCCCCCCCC)oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c12Aglycone:
CCCCCCCCCC(=O)C=Cc1c(CCCCCCCCC)oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 7.52 | Num_rotatable_bonds: | 22 |
| MolWt: | 794.94 | Num_heavy_atoms: | 57 |
| TPSA: | 220.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD22998
Formula: C38H48O8
Smiles:
CCCCCCCCCC(=O)C=Cc1c(CCCCCCCCC)oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)c12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 10.04 | Num_rotatable_bonds: | 19 |
| MolWt: | 632.79 | Num_heavy_atoms: | 46 |
| TPSA: | 141.34 | NumAromaticRings: | 4 |
