Glycoside
GD009440
Name:
N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-5-methyl-4-({[(pyridin-4-yl)formamido]imino}methyl)oxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidineFormula:
C27H44O12N10Smiles:
CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=NNC(=O)c2ccncc2)OC(CO)C(O)C1OAglycone:
C=NNC(=O)c1ccncc1.N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2(O)O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.67 |
| AlogP: | -7.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 700.71 | Num_heavy_atoms: | 49 |
| TPSA: | 368.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD02685
Formula: C7H7ON3
Smiles:
C=NNC(=O)c1ccncc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 54.35 | NumAromaticRings: | 1 |
AD07399
Formula: C8H18O4N6
Smiles:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.75 |
| AlogP: | -4.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.27 | Num_heavy_atoms: | 18 |
| TPSA: | 204.72 | NumAromaticRings: | 0 |
