Glycoside
GD145510
Name:
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-methyl-5-[({[3-(2-methylprop-2-enamido)propyl]carbamoyl}oxy)methyl]-hexahydro-[1,3]dioxolo[4,5-b]pyran-2-carboxylic acidFormula:
C29H46O20N2Smiles:
C=C(C)C(O)=NCCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
C=C(C)C(O)=NCCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | -4.85 | Num_rotatable_bonds: | 14 |
| MolWt: | 742.68 | Num_heavy_atoms: | 51 |
| TPSA: | 338.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD58406
Formula: C17H26O10N2
Smiles:
C=C(C)C(O)=NCCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.4 | Num_heavy_atoms: | 29 |
| TPSA: | 179.86 | NumAromaticRings: | 0 |
