Glycoside
GD140748
Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 6-{3a,6,11a-trimethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoateFormula:
C40H60O14Smiles:
CC(=CCCC(C)C1CCC2(C)C3CCC4=C(C)C(=O)CCC4C3C(=O)CC12C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=CCCC(C)C1CCC2(C)C3CCC4=C(C)C(=O)CCC4C3C(=O)CC12C)C(=O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 764.91 | Num_heavy_atoms: | 54 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD56744
Formula: C28H40O4
Smiles:
CC(=CCCC(C)C1CCC2(C)C3CCC4=C(C)C(=O)CCC4C3C(=O)CC12C)C(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 6.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.62 | Num_heavy_atoms: | 32 |
| TPSA: | 71.44 | NumAromaticRings: | 0 |
