Glycoside
GD144013
Name:
4,5-dihydroxy-2-({15-hydroxy-5,5-dimethyl-14-methylidene-3-oxotetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-9-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C28H42O9Smiles:
C=C1C2CCC3C(CC(=O)C4C(C)(C)CCCC43COC3OC(CO)C(O)C(O)C3OC(C)=O)(C2)C1OAglycone:
C=C1C2CCC3C(CC(=O)C4C(C)(C)CCCC43CO)(C2)C1OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.64 | Num_heavy_atoms: | 37 |
| TPSA: | 142.75 | 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 |
