Glycoside
GD146405
Name:
9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-formyl-14-hydroxy-10-(hydroxymethyl)-3,6b,10,12a,12b,14a-hexamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 2-(methylamino)benzoateFormula:
C49H73O16NSmiles:
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(CO)C(OC6OCC(O)C(O)C6OC6OC(CO)C(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:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.84 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 932.11 | Num_heavy_atoms: | 66 |
| TPSA: | 266.69 | 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 |
