Glycoside
GD023513
Name:
NoneFormula:
C41H66O15Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5C[C@H](O)[C@]5(C)[C@H]([C@@H]7CC(=O)O[C@H]7O)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3CC(=O)OC3O)CCC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 798.96 | Num_heavy_atoms: | 56 |
| TPSA: | 223.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD15805
Formula: C23H36O6
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3CC(=O)OC3O)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 408.54 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
