Glycoside
GD127707
Name:
9-hydroxy-3,6-dimethyl-10-methylidene-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,7H,8H,9H,10H,11H,11aH-cyclodeca[b]furan-2-oneFormula:
C21H32O9Smiles:
C=C1CC2OC(=O)C(C)C2C(OC2OC(CO)C(O)C(O)C2O)C=C(C)CCC1OAglycone:
C=C1CC2OC(=O)C(C)C2C(O)C=C(C)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51724
Formula: C15H22O4
Smiles:
C=C1CC2OC(=O)C(C)C2C(O)C=C(C)CCC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
