Glycoside
GD138719
Name:
3-formyl-14-hydroxy-3,6b,10,10,12a,12b,14a-heptamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 2-(methylamino)benzoateFormula:
C43H63O10NSmiles:
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC5(C)C4CC4OC43C2CC1(C)C=OAglycone:
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CC4OC43C2CC1(C)C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 753.97 | Num_heavy_atoms: | 54 |
| TPSA: | 167.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD55964
Formula: C38H55O6N
Smiles:
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CC4OC43C2CC1(C)C=O| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 621.86 | Num_heavy_atoms: | 45 |
| TPSA: | 108.39 | NumAromaticRings: | 1 |
