Glycoside
GD141442
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-4,14'-dioloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H62O14Smiles:
CC1COC2(CC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 754.91 | Num_heavy_atoms: | 53 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD04751
Formula: C27H42O5
Smiles:
CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
