Glycoside
GD027922
Name:
LanatoxinFormula:
C41H64O13Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C6CC[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@@]7(O)C6CC[C@H]5C4)C[C@H]3O)O[C@H]2C)C[C@H](O)[C@@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 764.95 | Num_heavy_atoms: | 54 |
| TPSA: | 182.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
