Glycoside
GD120521
Name:
3a,5a-dihydroxy-7-[(3-hydroxy-5-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl)oxy]-11a-methyl-1-(5-oxo-4,5-dihydrofuran-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C34H50O14Smiles:
CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CCC(=O)O6)CCC5(O)C4CCC3(O)C2)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CCC(=O)O1Sugarmoiety:
CC1OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 682.76 | Num_heavy_atoms: | 48 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD48431
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CCC(=O)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
