Glycoside
GD135634
Name:
3a,10a-dihydroxy-2,10-dimethyl-7-(propan-2-yl)-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3H,3aH,4H,6aH,7H,8H,9H,10H,10aH,10bH-cyclohexa[e]azulene-3,8-dioneFormula:
C26H38O10Smiles:
CC1=CC2C(O)(CC(COC3OC(CO)C(O)C(O)C3O)=CC3C(C(C)C)C(=O)CC(C)C32O)C1=OAglycone:
CC1=CC2C(O)(CC(CO)=CC3C(C(C)C)C(=O)CC(C)C32O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD54844
Formula: C20H28O5
Smiles:
CC1=CC2C(O)(CC(CO)=CC3C(C(C)C)C(=O)CC(C)C32O)C1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
