Glycoside
GD126474
Name:
4-({amino[(3-hydroxypropyl)amino]methylidene}amino)-5-carboxylato-3-{2-[3-ethenyl-5-({[3-(hydroxymethyl)cyclopentyl]oxy}carbonyl)-2-{[4,4,5-trihydroxy-6-(hydroxymethyl)-3-(propan-2-yloxy)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethenyl}-1-(2-hydroxyethyl)piperidin-1-ium-3-ylFormula:
C37H56O15N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C(C(=O)OC2CCC(CO)C2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=N[C](N)NCCCOAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCC(CO)C2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCOSugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 19 |
| MolWt: | 796.87 | Num_heavy_atoms: | 56 |
| TPSA: | 296.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD51176
Formula: C28H41O9N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCC(CO)C2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCO| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 577.66 | Num_heavy_atoms: | 41 |
| TPSA: | 208.6 | NumAromaticRings: | 0 |
