Glycoside
GD121016
Name:
2-({5-hydroxy-4-[(2,3,4-trihydroxy-1-methoxypentyl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-16'-oloxy}oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C44H70O16Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(OC6OCC(O)C(OC(OC)C(O)C(O)C(C)O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1C2CAglycone:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
COC(OC1C(O)COC(O)C1OC1OC(C)C(O)C(O)C1O)C(O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 855.03 | Num_heavy_atoms: | 60 |
| TPSA: | 235.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD05472
Formula: C27H40O4
Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 428.61 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
