Glycoside
GD148286
Name:
2-{2'-decyl-2,4-dihydroxy-7,8-dimethyl-10-[2,3,4-trihydroxy-5-(phosphonooxy)pentyl]-10H-spiro[cyclohexa[g]pteridine-6,1'-cyclopropan]-3'-yl}acetic acidFormula:
C31H47O11N4PSmiles:
CCCCCCCCCCC1C(CC(=O)O)C12C1=Nc3c(O)nc(O)nc3N(CC(O)C(O)C(O)COP(=O)(O)O)C1=CC(C)=C2CAglycone:
CCCCCCCCCCC1C(CC(=O)O)C12C1=Nc3c(O)nc(O)nc3N(C)C1=CC(C)=C2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 18 |
| MolWt: | 682.71 | Num_heavy_atoms: | 47 |
| TPSA: | 246.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD59347
Formula: C27H38O4N4
Smiles:
CCCCCCCCCCC1C(CC(=O)O)C12C1=Nc3c(O)nc(O)nc3N(C)C1=CC(C)=C2C| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 11 |
| MolWt: | 482.63 | Num_heavy_atoms: | 35 |
| TPSA: | 119.14 | NumAromaticRings: | 1 |
