Glycoside
GD116704
Name:
7-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C35H52O16Smiles:
CC1OC(OC2CCC3(C=O)C4CC(O)C5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 728.79 | Num_heavy_atoms: | 51 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD06932
Formula: C23H32O7
Smiles:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
