Glycoside
GD034032
Name:
NoneFormula:
C66H126O13Smiles:
CCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)CC(CCCCCCCCCCCC)CCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)OC.CCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)OCSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 14.96 | Num_rotatable_bonds: | 54 |
| MolWt: | 1127.72 | Num_heavy_atoms: | 79 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD21678
Formula: C28H56O2
Smiles:
CCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.96 |
| AlogP: | 9.79 | Num_rotatable_bonds: | 24 |
| MolWt: | 424.75 | Num_heavy_atoms: | 30 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
