Glycoside
GD033190
Name:
NoneFormula:
C28H40O8Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC3=CC[C@@H]4C(=O)[C@@](C)(C5=CC(=O)O[C@H]5C)CC[C@H]4[C@@]3(C)C[C@H]2O)O[C@H](C)[C@H]1OAglycone:
CC1OC(=O)C=C1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.62 | Num_heavy_atoms: | 36 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD11172
Formula: C21H28O5
Smiles:
CC1OC(=O)C=C1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
