Glycoside
GD134876
Name:
5-hydroxy-9-(hydroxymethyl)-3,5a-dimethyl-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:
C21H32O10Smiles:
CC1C(=O)OC2C1CC(O)C1(C)C(OC3OC(CO)C(O)C(O)C3O)CC=C(CO)C21Aglycone:
CC1C(=O)OC2C1CC(O)C1(C)C(O)CC=C(CO)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54557
Formula: C15H22O5
Smiles:
CC1C(=O)OC2C1CC(O)C1(C)C(O)CC=C(CO)C21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
