Glycoside
GD157412
Name:
5,5,14-trimethyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¸]hexadecane-3,4,7,14-tetrolFormula:
C26H42O10Smiles:
C=C1C2CCC3CC2(CC(O)C2(O)C1C(O)C(OC1OC(CO)C(O)C(O)C1O)C2(C)C)CC3(C)OAglycone:
C=C1C2CCC3CC2(CC(O)C2(O)C1C(O)C(O)C2(C)C)CC3(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 514.61 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD57790
Formula: C20H32O5
Smiles:
C=C1C2CCC3CC2(CC(O)C2(O)C1C(O)C(O)C2(C)C)CC3(C)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
