Glycoside
GD137688
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C35H52O16Smiles:
CC12CCC3C(CCC4(O)CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 728.78 | Num_heavy_atoms: | 51 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00229
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
