Glycoside
GD014120
Name:
METHYL ESTER PANDAROSIDE FFormula:
C40H60O14Smiles:
COC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C4=C(CC[C@H]3C2)[C@@H]2C(=O)C(O)=C([C@H](C)CC(=O)[C@H](C)C(C)C)[C@@]2(C)CC4)[C@H](O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3=C(CCC12C)C1(C)CCC(O)CC1CC3Sugarmoiety:
COC(=O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 764.91 | Num_heavy_atoms: | 54 |
| TPSA: | 218.74 | 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 |
