Glycoside
GD002388
Name:
NoneFormula:
C45H82O15Smiles:
CCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)CO[C@@H]1OC(CO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)[C@H](O)C1OAglycone:
CCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 35 |
| MolWt: | 863.14 | Num_heavy_atoms: | 60 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD02284
Formula: C33H62O5
Smiles:
CCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 9.39 | Num_rotatable_bonds: | 29 |
| MolWt: | 538.85 | Num_heavy_atoms: | 38 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
