Glycoside
GD006084
Name:
PANDAROSIDE FFormula:
C39H58O14Smiles:
CC(C)[C@H](C)C(=O)C[C@H](C)C1=C(O)C(=O)[C@@H]2C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]2O)C[C@H]1CC3Aglycone:
CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3=C(CCC12C)C1(C)CCC(O)CC1CC3Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 750.88 | Num_heavy_atoms: | 53 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD05067
Formula: C28H42O4
Smiles:
CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3=C(CCC12C)C1(C)CCC(O)CC1CC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 5.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.64 | Num_heavy_atoms: | 32 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
