Glycoside
GD136812
Name:
16-(4-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-2-methoxy-5-methyl-6-(penta-1,3-dien-1-yl)oxan-2-yl}-3-hydroxypentan-2-yl)-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-oneFormula:
C44H70O12Smiles:
CC=CC=CC1OC(OC)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC2OC)CC(OC2CC(O)C(O)C(C)O2)C1CAglycone:
CC=CC=CC1OC(OC)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 791.03 | Num_heavy_atoms: | 56 |
| TPSA: | 162.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD55298
Formula: C38H60O9
Smiles:
CC=CC=CC1OC(OC)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1C| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.66 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 660.89 | Num_heavy_atoms: | 47 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
