Glycoside
GD125414
Name:
2-[(4,5-dihydroxy-6-methyl-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C39H62O11Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CCCC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CCCC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 706.91 | Num_heavy_atoms: | 50 |
| TPSA: | 156.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD50724
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CCCC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
