Glycoside

GD146205
Name:
Phyllanthusol AFormula:
C35H49O19NSmiles:
CC(O)=NC1C(OC2C(OC(=O)C3CC(O)C4(O)C(C3)OC3(CC(OC(=O)c5ccc(O)cc5)C(C)CO3)C4O)CC(O)C(O)C2O)OC(CO)C(O)C1OAglycone:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1CC(C(=O)OC3CC(O)C(O)C(O)C3O)CC(O)C1(O)C2OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 20 | RingCount: | 6 |
HBD: | 11 | FractionCSP3: | 0.74 |
AlogP: | -3.5 | Num_rotatable_bonds: | 8 |
MolWt: | 787.77 | Num_heavy_atoms: | 55 |
TPSA: | 324.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD58638
Formula: C27H36O14
Smiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1CC(C(=O)OC3CC(O)C(O)C(O)C3O)CC(O)C1(O)C2OHBA: | 14 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.7 |
AlogP: | -2.31 | Num_rotatable_bonds: | 4 |
MolWt: | 584.57 | Num_heavy_atoms: | 41 |
TPSA: | 232.9 | NumAromaticRings: | 1 |