Glycoside
GD125370
Name:
3-formyl-14-hydroxy-10-(hydroxymethyl)-3,6b,10,12a,12b,14a-hexamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 2-(methylamino)benzoateFormula:
C43H63O11NSmiles:
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(CO)C(OC6OCC(O)C(O)C6O)CCC5(C)C4CC4OC43C2CC1(C)C=OAglycone:
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(CO)C(O)CCC5(C)C4CC4OC43C2CC1(C)C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 769.97 | Num_heavy_atoms: | 55 |
| TPSA: | 187.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD50555
Formula: C38H55O7N
Smiles:
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(CO)C(O)CCC5(C)C4CC4OC43C2CC1(C)C=O| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 637.86 | Num_heavy_atoms: | 46 |
| TPSA: | 128.62 | NumAromaticRings: | 1 |
