Glycoside
GD136240
Name:
2-[(2-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-methoxy-3a,6,6,9b,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-3,5-dihydroxyoxan-4-yl acetateFormula:
C46H74O14Smiles:
COC1C=C2C(CCC(OC3OCC(O)C(OC(C)=O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(OC4OC(CO)C(O)C(O)C4OC(C)=O)CC3(C)C12Aglycone:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1O.CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 851.08 | Num_heavy_atoms: | 60 |
| TPSA: | 199.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45313
Formula: C31H52O3
Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
