Glycoside
GD147973
Name:
2-({2-[(6-{4-[(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methylbutyl}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosa-6,18-dien-16-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C46H74O16Smiles:
CCC1OC(OCC(C)CCC2=C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC43C)O2)C(O)C(O)C1OAglycone:
CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 883.08 | Num_heavy_atoms: | 62 |
| TPSA: | 246.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD01070
Formula: C27H42O3
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 5.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
