Glycoside
GD009617
Name:
PANDAROSIDE CFormula:
C39H60O15Smiles:
CC(C)CC(=O)C[C@H](C)C1=C(O)C(=O)[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12CAglycone:
CC(C)CC(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 768.89 | Num_heavy_atoms: | 54 |
| TPSA: | 249.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD02879
Formula: C27H42O4
Smiles:
CC(C)CC(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
