Glycoside
GD034794
Name:
NoneFormula:
C28H40O8Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=C(C=O)[C@@H]4[C@H]3CC[C@]35C(=O)O[C@H](C)[C@H]3CC[C@]45O)C2)O[C@H](C)[C@H]1OAglycone:
CC1OC(=O)C23CCC4C(C(C=O)=C5CC(O)CCC54C)C2(O)CCC13Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.62 | Num_heavy_atoms: | 36 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD22077
Formula: C21H28O5
Smiles:
CC1OC(=O)C23CCC4C(C(C=O)=C5CC(O)CCC54C)C2(O)CCC13| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
