Glycoside
GD006213
Name:
3,5a,9-trimethyl-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-2-oneFormula:
C21H32O8Smiles:
CC1=CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@H]12Aglycone:
CC1=CCC(O)C2(C)CCC3C(C)C(=O)OC3C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD05162
Formula: C15H22O3
Smiles:
CC1=CCC(O)C2(C)CCC3C(C)C(=O)OC3C12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
