Glycoside
GD011348
Name:
ELAEODENDROSIDE WFormula:
C35H52O16Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4[C@H](CC[C@@]3(O)C2)[C@]2(O)CC[C@@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 728.79 | Num_heavy_atoms: | 51 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD02817
Formula: C23H32O7
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
