Glycoside
GD037256
Name:
AllocorFormula:
C49H76O20Smiles:
CC(=O)O[C@@H]1C[C@H](O[C@@H]2C(C)O[C@H](O[C@@H]3C(C)O[C@H](O[C@@H]4CC[C@]5(C)C(CCC6C5C[C@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)C[C@H]3O)C[C@H]2O)OC(C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 985.13 | Num_heavy_atoms: | 69 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD02796
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
