Glycoside
GD007602
Name:
POUOSIDE AFormula:
C42H66O13Smiles:
CC(=O)O[C@H](C=C(C)[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O)CC=C(C)CC[C@@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)OC(C)=OAglycone:
CC(=O)OC(C=C(C)C(CC1C(C)=CCC(=O)C1(C)C)OC(C)=O)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 15 |
| MolWt: | 778.98 | Num_heavy_atoms: | 55 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD03541
Formula: C36H56O8
Smiles:
CC(=O)OC(C=C(C)C(CC1C(C)=CCC(=O)C1(C)C)OC(C)=O)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)C| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 616.84 | Num_heavy_atoms: | 44 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
