Glycoside
GD137946
Name:
9-hydroxy-12-methyl-13-methylidene-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,6-dioxatetracyclo[7.4.0.0¹,³.0â´,â¸]tridecan-5-oneFormula:
C20H28O10Smiles:
C=C1C(C)CCC2(O)C3COC(=O)C3(COC3OC(CO)C(O)C(O)C3O)C3OC132Aglycone:
C=C1C(C)CCC2(O)C3COC(=O)C3(CO)C3OC132Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.43 | Num_heavy_atoms: | 30 |
| TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD55702
Formula: C14H18O5
Smiles:
C=C1C(C)CCC2(O)C3COC(=O)C3(CO)C3OC132| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.29 | Num_heavy_atoms: | 19 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
