Glycoside
GD136408
Name:
4-(16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,8-dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-6-yl)-2-methylbutyl acetateFormula:
C42H70O16Smiles:
COC1(CCC(C)COC(C)=O)OC2CC3(O)C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2(O)C1CAglycone:
COC1(CCC(C)COC(C)=O)OC2CC3(O)C4CCC5CC(O)CCC5(C)C4CCC3(C)C2(O)C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 11 |
| MolWt: | 831.01 | Num_heavy_atoms: | 58 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD45509
Formula: C30H50O7
Smiles:
COC1(CCC(C)COC(C)=O)OC2CC3(O)C4CCC5CC(O)CCC5(C)C4CCC3(C)C2(O)C1C| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.72 | Num_heavy_atoms: | 37 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
