Glycoside
GD146527
Name:
2,7-dihydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,9b,11a-pentamethyl-8-{[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-10-oneFormula:
C36H58O11Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC=C5C(CC(OC6OC(CO)C(O)C(O)C6O)C(O)C5(C)C)C4(C)C(=O)CC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC=C5C(CC(O)C(O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 666.85 | Num_heavy_atoms: | 47 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD58747
Formula: C30H48O6
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC=C5C(CC(O)C(O)C5(C)C)C4(C)C(=O)CC23C)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
