Glycoside
GD132283
Name:
(3,4,5-trihydroxy-6-{[4-hydroxy-2-(hydroxymethyl)-6-{6-methoxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-8'-oloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}oxan-2-yl)methyl acetateFormula:
C48H76O20Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(COC(C)=O)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2CAglycone:
COC(C)=O.COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 973.12 | Num_heavy_atoms: | 68 |
| TPSA: | 291.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46179
Formula: C28H44O5
Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
