Glycoside
GD023868
Name:
Foetidissimoside AFormula:
C52H82O22Smiles:
CC1OC(OC2C(OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.92 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 1059.21 | Num_heavy_atoms: | 74 |
| TPSA: | 350.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD00309
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
