Glycoside
GD146225
Name:
15-(7-hydroxy-6-methylheptan-2-yl)-2,16-dimethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-7-oxapentacyclo[9.7.0.0²,â¸.0â¶,â¸.0¹²,¹â¶]octadecane-9,11,13,14-tetrolFormula:
C32H54O11Smiles:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C2(O)CC(O)C23OC2C(OC2OCC(O)C(O)C2O)CCC13CAglycone:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C2(O)CC(O)C23OC2C(O)CCC13CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.77 | Num_heavy_atoms: | 43 |
| TPSA: | 192.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD58648
Formula: C27H46O7
Smiles:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C2(O)CC(O)C23OC2C(O)CCC13C| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.66 | Num_heavy_atoms: | 34 |
| TPSA: | 133.91 | NumAromaticRings: | 0 |
