Glycoside
GD136383
Name:
7-(furan-3-yl)-1,8,12,17,17-pentamethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6,16-trioxapentacyclo[9.9.0.0²,â´.0²,â¸.0¹²,¹â¸]icosane-5,15,20-trioneFormula:
C32H42O13Smiles:
CC1(C)OC(=O)CC(OC2OC(CO)C(O)C(O)C2O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321Aglycone:
CC1(C)OC(=O)CC(O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 634.68 | Num_heavy_atoms: | 45 |
| TPSA: | 194.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD55130
Formula: C26H32O8
Smiles:
CC1(C)OC(=O)CC(O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.53 | Num_heavy_atoms: | 34 |
| TPSA: | 115.57 | NumAromaticRings: | 1 |
