Glycoside
GD145882
Name:
(4-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-(furan-3-yl)-2-methyl-2'-oxo-3,4,6,7,8,8a-hexahydro-2H-spiro[naphthalene-1,3'-oxolan]-5-yl)methyl acetateFormula:
C29H38O12Smiles:
CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3OC(C)=O)CC(C)C3(CC(c4ccoc4)OC3=O)C2CCC1Aglycone:
CC(=O)OCC1=C2C(O)CC(C)C3(CC(c4ccoc4)OC3=O)C2CCC1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.61 | Num_heavy_atoms: | 41 |
| TPSA: | 171.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD58529
Formula: C21H26O6
Smiles:
CC(=O)OCC1=C2C(O)CC(C)C3(CC(c4ccoc4)OC3=O)C2CCC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
