Glycoside
GD017153
Name:
7-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C34H48O14Smiles:
C[C@@]12CC[C@@H]3[C@H](CCC4=C[C@H](OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CC[C@]43C=O)[C@@]1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4=CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 680.74 | Num_heavy_atoms: | 48 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD10338
Formula: C23H30O5
Smiles:
CC12CCC3C(CCC4=CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.49 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
