Glycoside
GD120091
Name:
3,5,8-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,7H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2-oneFormula:
C21H28O8Smiles:
CC1=CCC2C1=CC1=C(C)C(=O)OC1CC2(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CCC2C1=CC1=C(C)C(=O)OC1CC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48199
Formula: C15H18O3
Smiles:
CC1=CCC2C1=CC1=C(C)C(=O)OC1CC2(C)O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
