Glycoside
GD037966
Name:
1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono -d-ribitolFormula:
C22H31O9N4PSmiles:
CC(C)=CCN1c2cc(C)c(C)cc2N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)c2[nH]c(=O)[nH]c(=O)c21Aglycone:
CC(C)=CCN1c2cc(C)c(C)cc2N(C)c2[nH]c(=O)[nH]c(=O)c21Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.48 | Num_heavy_atoms: | 36 |
| TPSA: | 199.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD23803
Formula: C18H22O2N4
Smiles:
CC(C)=CCN1c2cc(C)c(C)cc2N(C)c2[nH]c(=O)[nH]c(=O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.4 | Num_heavy_atoms: | 24 |
| TPSA: | 72.2 | NumAromaticRings: | 2 |
