Glycoside
GD142705
Name:
3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C37H54O14Smiles:
COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(c5ccc(=O)oc5)CCC43O)C2)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
COC1C(O)C(C)OC(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 722.83 | Num_heavy_atoms: | 51 |
| TPSA: | 214.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD03631
Formula: C24H32O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
