Glycoside
GD137930
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{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}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C40H64O14Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2CAglycone:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 768.94 | Num_heavy_atoms: | 54 |
| TPSA: | 206.22 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
