Glycoside
GD022309
Name:
NoneFormula:
C36H54O15Smiles:
CO[C@@H]1[C@H](O)[C@H](O[C@@H]2CC[C@@]3(C(=O)O)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 726.81 | Num_heavy_atoms: | 51 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD02010
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
