Glycoside
GD142434
Name:
4-({amino[(3-hydroxypropyl)amino]methylidene}amino)-5-carboxylato-3-(2-{5-[(cyclopentyloxy)carbonyl]-3-ethenyl-2-{[4,4,5-trihydroxy-6-(hydroxymethyl)-3-[(methylazaniumyl)methoxy]oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl}ethenyl)-1-(2-hydroxyethyl)piperidin-1-ium-3-ylFormula:
C35H53O14N5Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C(C(=O)OC2CCCC2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=N[C](N)NCCCOAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCOSugarmoiety:
CNCOC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.6 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 19 |
| MolWt: | 767.83 | Num_heavy_atoms: | 54 |
| TPSA: | 288.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD51278
Formula: C27H39O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCO| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 13 |
| MolWt: | 547.63 | Num_heavy_atoms: | 39 |
| TPSA: | 188.37 | NumAromaticRings: | 0 |
