Glycoside
GD027377
Name:
METHYL ESTER PANDAROSIDE DFormula:
C34H52O10Smiles:
COC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@H]4[C@H]5C(=O)C(O)=C([C@H](C)CC(=O)CC(C)C)[C@@]5(C)CC[C@H]43)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)CC(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 620.78 | Num_heavy_atoms: | 44 |
| TPSA: | 159.82 | 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 |
