Glycoside
GD134579
Name:
2,3a,5a-trihydroxy-7-({4-hydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C35H52O14Smiles:
CC1OC(OC2C(O)CC(OC3CCC4(C=O)C5CCC6(C)C(C7=CC(=O)OC7)C(O)CC6(O)C5CCC4(O)C3)OC2C)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CC(O)C2C1=CC(=O)OC1Sugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 696.79 | Num_heavy_atoms: | 49 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46338
Formula: C23H32O7
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CC(O)C2C1=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 |
