Glycoside
GD122760
Name:
7-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C36H52O15Smiles:
CC1OC(OC2CCC3(C=O)C4CCC5(C)C(c6ccc(=O)oc6)CCC5(O)C4CCC3(O)C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.8 | Num_heavy_atoms: | 51 |
| TPSA: | 246.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD00214
Formula: C24H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 416.51 | Num_heavy_atoms: | 30 |
| TPSA: | 107.97 | NumAromaticRings: | 1 |
