Glycoside
GD124631
Name:
4,8,11b-trimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,2H,3H,4H,4aH,5H,6H,7H,9H,10aH,11H,11bH-phenanthro[3,2-b]furan-7,9-dioneFormula:
C26H36O9Smiles:
CC1=C2C(=O)C3=C(CC2OC1=O)C1(C)CCCC(C)(COC2OC(CO)C(O)C(O)C2O)C1CC3Aglycone:
CC1=C2C(=O)C3=C(CC2OC1=O)C1(C)CCCC(C)(CO)C1CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.57 | Num_heavy_atoms: | 35 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD50360
Formula: C20H26O4
Smiles:
CC1=C2C(=O)C3=C(CC2OC1=O)C1(C)CCCC(C)(CO)C1CC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.42 | Num_heavy_atoms: | 24 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
