Glycoside
GD150585
Name:
(5a-methyl-3-methylidene-2-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-9-yl)methyl 2-(4-hydroxyphenyl)acetateFormula:
C29H36O11Smiles:
C=C1C(=O)OC2C1CCC1(C)C(OC3OC(CO)C(O)C(O)C3O)CC=C(COC(=O)Cc3ccc(O)cc3)C21Aglycone:
C=C1C(=O)OC2C1CCC1(C)C(O)CC=C(COC(=O)Cc3ccc(O)cc3)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.6 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD59657
Formula: C23H26O6
Smiles:
C=C1C(=O)OC2C1CCC1(C)C(O)CC=C(COC(=O)Cc3ccc(O)cc3)C21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.46 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
