Glycoside
GD020504
Name:
Rotundifolioside IFormula:
C47H76O16Smiles:
CC1OC(O[C@@H]2CC[C@]3(C)C4C=C[C@]56OC[C@]7(CC[C@H](C)[C@H](C)C57)[C@H](O)C[C@@]6(C)[C@@]4(C)CC[C@H]3C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
CC1CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1CSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 897.11 | Num_heavy_atoms: | 63 |
| TPSA: | 246.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD10068
Formula: C30H48O3
Smiles:
CC1CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1C| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
