Glycoside

GD131933
Name:
Tuberoside JFormula:
C39H64O14Smiles:
CC1OC(OC2C(OC3CC4CCC5C(CCC6(C)C5CC5OC7(CCC(CO)CO7)C(C)C56)C4(C)CC3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC32C)OC12CCC(CO)CO2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 8 |
HBD: | 8 | FractionCSP3: | 1.0 |
AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
MolWt: | 756.93 | Num_heavy_atoms: | 53 |
TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD52443
Formula: C27H44O5
Smiles:
CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC32C)OC12CCC(CO)CO2HBA: | 5 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 3.74 | Num_rotatable_bonds: | 1 |
MolWt: | 448.64 | Num_heavy_atoms: | 32 |
TPSA: | 79.15 | NumAromaticRings: | 0 |