Glycoside
GD019933
Name:
NoneFormula:
C45H78O13Smiles:
CCCCCC[C@H](O)CCC[C@H](OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@H]([C@@H]2CC[C@H]([C@H](CCCCCCCCCCCCC3=C[C@H](C)OC3=O)OC(C)=O)O2)O1Aglycone:
CCCCCCC(O)CCCC(OC)C1CCC(C2CCC(C(CCCCCCCCCCCCC3=CC(C)OC3=O)OC(C)=O)O2)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 6.25 | Num_rotatable_bonds: | 29 |
| MolWt: | 827.11 | Num_heavy_atoms: | 58 |
| TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD13837
Formula: C40H70O8
Smiles:
CCCCCCC(O)CCCC(OC)C1CCC(C2CCC(C(CCCCCCCCCCCCC3=CC(C)OC3=O)OC(C)=O)O2)O1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 9.08 | Num_rotatable_bonds: | 27 |
| MolWt: | 678.99 | Num_heavy_atoms: | 48 |
| TPSA: | 100.52 | NumAromaticRings: | 0 |
