Glycoside
GD143263
Name:
2-[(4-carboxy-2-{[4-carboxy-2-({[(3,4-dihydroxy-5-{[2,3,4-trihydroxy-5-(4-{[1-(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)ethyl]amino}phenyl)pentyl]oxy}oxolan-2-yl)methoxy](hydroxy)phosphoryl}oxy)-1-hydroxybutylidene]amino}-1-hydroxybutylidene)amino]butanedioic acidFormula:
C38H51O22N8PSmiles:
CC(Nc1ccc(CC(O)C(O)C(O)COC2OC(COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O)C(O)C2O)cc1)c1cnc2[nH]c(=N)nc(O)c2n1Aglycone:
COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O.Cc1ccc(NC(C)c2cnc3[nH]c(=N)nc(O)c3n2)cc1Sugarmoiety:
OC(O)C(O)C(O)COC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.53 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 28 |
| MolWt: | 1002.83 | Num_heavy_atoms: | 69 |
| TPSA: | 500.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD45171
Formula: C15H16ON6
Smiles:
Cc1ccc(NC(C)c2cnc3[nH]c(=N)nc(O)c3n2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.33 | Num_heavy_atoms: | 22 |
| TPSA: | 110.57 | NumAromaticRings: | 3 |
AD57634
Formula: C15H23O14N2P
Smiles:
COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O| HBA: | 16 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 16 |
| MolWt: | 486.32 | Num_heavy_atoms: | 32 |
| TPSA: | 270.14 | NumAromaticRings: | 0 |
