Glycoside
GD031206
Name:
MADLONGISIDE AFormula:
C35H54O10Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC(=O)[C@H](O)[C@](C)(CO)[C@H]5[C@H](O)C[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(CO)C5C(O)CC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD12161
Formula: C30H46O6
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(CO)C5C(O)CC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
