Glycoside
GD026317
Name:
4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-8-methoxy-9,11-dimethyl-18-(2-methylhexa-1,4-dien-1-yl)-1-oxacyclooctadeca-5,9,13,15-tetraen-2-oneFormula:
C34H52O9Smiles:
CC=CCC(C)=C[C@@H]1CC=CC=CC[C@H](C)C=C(C)[C@H](OC)CC=C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC)[C@H]2O)CC(=O)O1Aglycone:
CC=CCC(C)=CC1CC=CC=CCC(C)C=C(C)C(OC)CC=CC(O)CC(=O)O1Sugarmoiety:
COC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 604.78 | Num_heavy_atoms: | 43 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD17351
Formula: C27H40O4
Smiles:
CC=CCC(C)=CC1CC=CC=CCC(C)C=C(C)C(OC)CC=CC(O)CC(=O)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.61 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
