Glycoside
GD145388
Name:
2-{[2-({2,13-dihydroxy-1,11a,13a-trimethyl-2-[3-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)but-3-en-1-yl]-icosahydro-1H-cyclopenta[a]chrysen-9-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C48H80O18Smiles:
C=C(CCC1(O)CC2CCC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(O)C3(C)C2C1C)COC1CC(CO)C(O)C(O)C1OAglycone:
C=C(CCC1(O)CC2CCC3C4CCC5CC(O)CCC5(C)C4CC(O)C3(C)C2C1C)COC1CC(CO)C(O)C(O)C1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 945.15 | Num_heavy_atoms: | 66 |
| TPSA: | 309.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD58363
Formula: C36H60O8
Smiles:
C=C(CCC1(O)CC2CCC3C4CCC5CC(O)CCC5(C)C4CC(O)C3(C)C2C1C)COC1CC(CO)C(O)C(O)C1O| HBA: | 8 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.87 | Num_heavy_atoms: | 44 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
