Glycoside
GD017276
Name:
NoneFormula:
C27H36O12Smiles:
CCCCO[C@@]12C[C@]3(C)O[C@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]2C[C@]31O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCOC12CC3(C)OC(O1)C1(COC(=O)c4ccc(O)cc4)C2CC31OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 173.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD12342
Formula: C21H26O7
Smiles:
CCCCOC12CC3(C)OC(O1)C1(COC(=O)c4ccc(O)cc4)C2CC31O| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 94.45 | NumAromaticRings: | 1 |
