Glycoside
GD147519
Name:
5-(2,3-dihydroxy-4-methylpentan-3-yl)-3-(2-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)oxolan-2-oneFormula:
C35H56O11Smiles:
CC(C)C(O)(C(C)O)C1CC(C2C(O)CC3C4=CCC5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)C(=O)O1Aglycone:
CC(C)C(O)(C(C)O)C1CC(C2C(O)CC3C4=CCC5CC(O)CCC5(C)C4CCC32C)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 652.82 | Num_heavy_atoms: | 46 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59071
Formula: C29H46O6
Smiles:
CC(C)C(O)(C(C)O)C1CC(C2C(O)CC3C4=CCC5CC(O)CCC5(C)C4CCC32C)C(=O)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
