Glycoside
GD121285
Name:
2-(1-hydroxy-9a-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-methylheptan-3-oneFormula:
C37H60O13Smiles:
CC(C)CCC(=O)C(C)C1(O)C(OC2OCC(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21Aglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 712.87 | Num_heavy_atoms: | 50 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48813
Formula: C26H42O4
Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.62 | Num_heavy_atoms: | 30 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
