Glycoside
GD150525
Name:
3-(3a,6,6,9a,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-oneFormula:
C36H56O8Smiles:
CC(C)C1CC=C(C2CCC3(C)C4CC=C5C(C)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C)C(=O)O1Aglycone:
CC(C)C1CC=C(C2CCC3(C)C4CC=C5C(C)(C)C(O)CCC5(C)C4CCC23C)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 616.84 | Num_heavy_atoms: | 44 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60118
Formula: C30H46O3
Smiles:
CC(C)C1CC=C(C2CCC3(C)C4CC=C5C(C)(C)C(O)CCC5(C)C4CCC23C)C(=O)O1| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
