Glycoside
GD031471
Name:
NoneFormula:
C41H64O18Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@H]3[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C4CCC(O)CC4CCC3C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 844.95 | Num_heavy_atoms: | 59 |
| TPSA: | 272.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD15160
Formula: C22H32O4
Smiles:
CC12CCC3C4CCC(O)CC4CCC3C1(O)CCC2C1=CC(=O)OC1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 360.49 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
