Glycoside
GD150612
Name:
2-[(2-hydroxy-6-{2-hydroxy-3a,6,6,9a,11a-pentamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methylheptan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H70O13Smiles:
CC(CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3=CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 771.0 | Num_heavy_atoms: | 54 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD60146
Formula: C30H52O4
Smiles:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
