Glycoside
GD156492
Name:
3-formyl-14-hydroxy-9-{[4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-3,6b,10,10,12a,12b,14a-heptamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 2-(methylamino)benzoateFormula:
C55H83O20NSmiles:
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(C)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)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)(C)C(O)CCC5(C)C4CC4OC43C2CC1(C)C=OSugarmoiety:
OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.85 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 1078.26 | Num_heavy_atoms: | 76 |
| TPSA: | 325.61 | 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 |
