Glycoside
GD032785
Name:
PHARBOSIDE CFormula:
C27H44O11Smiles:
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@H]21)[C@@](CO)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3Aglycone:
COC(=O)C1(C)CCCC2(C)C1C(O)C(O)C13CC(CCC21)C(O)(CO)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.64 | Num_heavy_atoms: | 38 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD20977
Formula: C21H34O6
Smiles:
COC(=O)C1(C)CCCC2(C)C1C(O)C(O)C13CC(CCC21)C(O)(CO)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 382.5 | Num_heavy_atoms: | 27 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
