Glycoside
GD033606
Name:
NoneFormula:
C28H42O8Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@H]3C(=O)[C@]3(O)O[C@H](C)[C@@H]5CC[C@@]4(O)[C@]53C)C2)O[C@H](C)[C@H]1OAglycone:
CC1OC2(O)C(=O)C3C(CC=C4CC(O)CCC43C)C3(O)CCC1C23CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 506.64 | Num_heavy_atoms: | 36 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD21439
Formula: C21H30O5
Smiles:
CC1OC2(O)C(=O)C3C(CC=C4CC(O)CCC43C)C3(O)CCC1C23C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 362.47 | Num_heavy_atoms: | 26 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
