Glycoside
GD136233
Name:
12,12-dimethyl-6-methylidene-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[7.6.2.1âµ,â¸.0¹,¹¹.0²,â¸]octadecane-7,9,10-triolFormula:
C26H40O10Smiles:
C=C1C2CCC3C45COC(O)(C(O)C4C(C)(C)CCC5OC4OC(CO)C(O)C(O)C4O)C3(C2)C1OAglycone:
C=C1C2CCC3C45COC(O)(C(O)C4C(C)(C)CCC5O)C3(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD55062
Formula: C20H30O5
Smiles:
C=C1C2CCC3C45COC(O)(C(O)C4C(C)(C)CCC5O)C3(C2)C1O| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
