Glycoside
GD026788
Name:
Torvoside JFormula:
C39H64O13Smiles:
C[C@@H]1O[C@H](O[C@@H]2C[C@@H]3[C@@H]4C[C@@H]5O[C@]6(OC[C@H](C)C[C@H]6O)[C@H](C)[C@H]5[C@@]4(C)CC[C@H]3[C@]3(C)CC[C@H](O)C[C@H]23)[C@@H](O)[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1OAglycone:
CC1COC2(OC3CC4C5CC(O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 740.93 | Num_heavy_atoms: | 52 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD01183
Formula: C27H44O5
Smiles:
CC1COC2(OC3CC4C5CC(O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
