Glycoside
GD121018
Name:
6-[(3,10-dihydroxy-4,4,6a,6b,8a,9,9,12a,14b-nonamethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-docosahydropicen-5-yl)oxy]-4,5-dihydroxyoxan-3-yl acetateFormula:
C44H74O14Smiles:
CC(=O)OC1COC(OC2CC3(C)C(CCC4C3(C)CCC3(C)C(C)(C)C(O)CCC43C)C3(C)CC(OC4OC(CO)C(O)C(O)C4O)C(O)C(C)(C)C23)C(O)C1OAglycone:
CC1(C)C(O)C(O)CC2(C)C1C(O)CC1(C)C2CCC2C1(C)CCC1(C)C(C)(C)C(O)CCC21CSugarmoiety:
CC(=O)OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 827.06 | Num_heavy_atoms: | 58 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45906
Formula: C31H54O4
Smiles:
CC1(C)C(O)C(O)CC2(C)C1C(O)CC1(C)C2CCC2C1(C)CCC1(C)C(C)(C)C(O)CCC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 490.77 | Num_heavy_atoms: | 35 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
