Glycoside
GD005830
Name:
SAPINMUSAPONIN BFormula:
C42H72O14Smiles:
CC(C)=CC(O)C(O)[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3C[C@H](O)[C@]12CAglycone:
CC(C)=CC(O)C(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD04894
Formula: C30H52O5
Smiles:
CC(C)=CC(O)C(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
