Glycoside
GD124842
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-3,7,9,10-tetrolFormula:
C26H40O11Smiles:
C=C1C2CC(O)C3C45COC(O)(C(O)C4C(C)(C)CCC5OC4OC(CO)C(O)C(O)C4O)C3(C2)C1OAglycone:
C=C1C2CC(O)C3C45COC(O)(C(O)C4C(C)(C)CCC5O)C3(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 528.6 | Num_heavy_atoms: | 37 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD45054
Formula: C20H30O6
Smiles:
C=C1C2CC(O)C3C45COC(O)(C(O)C4C(C)(C)CCC5O)C3(C2)C1O| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 366.45 | Num_heavy_atoms: | 26 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
