Glycoside
GD003762
Name:
PHARBOSIDE DFormula:
C26H42O11Smiles:
C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@H]21)[C@](O)(CO)C3Aglycone:
CC1(C(=O)O)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: | 8 | FractionCSP3: | 0.96 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.61 | Num_heavy_atoms: | 37 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD03374
Formula: C20H32O6
Smiles:
CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(CCC21)C(O)(CO)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 368.47 | Num_heavy_atoms: | 26 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
