Glycoside
GD038574
Name:
(~{e})-2-[[(4~{a}~{s})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{s},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{h}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acidFormula:
C21H25O15N4PSmiles:
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)C1=NC(=O)NC(=O)[C@@]1(OC(C(=O)O)=C(O)C(=O)O)N2Aglycone:
Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1(OC(C(=O)O)=C(O)C(=O)O)N2Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 604.42 | Num_heavy_atoms: | 41 |
| TPSA: | 305.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD24063
Formula: C17H16O8N4
Smiles:
Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1(OC(C(=O)O)=C(O)C(=O)O)N2| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.34 | Num_heavy_atoms: | 29 |
| TPSA: | 177.86 | NumAromaticRings: | 1 |
