Glycoside

GD118248
Name:
NoneFormula:
C40H62O11N2Smiles:
CC1(CO)CCC2(C(=O)O)CC(CC3=NCN=C3)C3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(C(O)CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CC(CC3=NCN=C3)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 0.88 |
AlogP: | 2.07 | Num_rotatable_bonds: | 8 |
MolWt: | 746.94 | Num_heavy_atoms: | 53 |
TPSA: | 222.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD47261
Formula: C35H54O7N2
Smiles:
CC1(CO)CCC2(C(=O)O)CC(CC3=NCN=C3)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1HBA: | 9 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.86 |
AlogP: | 3.61 | Num_rotatable_bonds: | 6 |
MolWt: | 614.82 | Num_heavy_atoms: | 44 |
TPSA: | 163.17 | NumAromaticRings: | 0 |