Glycoside
GD139326
Name:
7-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxan-3-yl]oxy}-3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C35H52O14Smiles:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 696.79 | Num_heavy_atoms: | 49 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD01563
Formula: C23H32O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
