Glycoside
GD148449
Name:
8-hydroxy-16-{3-hydroxy-4-[2-hydroxy-5-methyl-6-(propan-2-yl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]pentan-2-yl}-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-oneFormula:
C41H68O13Smiles:
COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(OC3OC(C)C(O)C(O)C3O)C(C)C(C(C)C)O2)OC1=OAglycone:
COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD52973
Formula: C35H58O9
Smiles:
COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=O| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
