Glycoside
GD158276
Name:
2-[(8,19-dibutyl-4,15-dichloro-21,26-dihydroxy-2,13-dimethoxy-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[18.2.2.2â¹,¹²]hexacosa-1(22),9(26),10,12(25),20,23-hexaen-10-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C50H74O16Cl2Smiles:
CCCCC1CCCC(Cl)CC(OC)c2cc(O)c(c(OC3OC(CO)C(O)C(O)C3O)c2)C(CCCC)CCCC(Cl)CC(OC)c2cc(O)c1c(OC1OC(CO)C(O)C(O)C1O)c2Aglycone:
CCCCC1CCCC(Cl)CC(OC)c2cc(O)c(c(O)c2)C(CCCC)CCCC(Cl)CC(OC)c2cc(O)c1c(O)c2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 14 |
| MolWt: | 978.01 | Num_heavy_atoms: | 66 |
| TPSA: | 257.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD57454
Formula: C38H54O6Cl2
Smiles:
CCCCC1CCCC(Cl)CC(OC)c2cc(O)c(c(O)c2)C(CCCC)CCCC(Cl)CC(OC)c2cc(O)c1c(O)c2| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 10.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 653.73 | Num_heavy_atoms: | 44 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
