Glycoside
GD136826
Name:
15-hydroxy-5,5-dimethyl-14-methylidene-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-3-oneFormula:
C26H40O8Smiles:
C=C1C2CCC3C(CC(=O)C4C(C)(C)CCCC43COC3OC(CO)C(O)C(O)C3O)(C2)C1OAglycone:
C=C1C2CCC3C(CC(=O)C4C(C)(C)CCCC43CO)(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55306
Formula: C20H30O3
Smiles:
C=C1C2CCC3C(CC(=O)C4C(C)(C)CCCC43CO)(C2)C1O| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
