Glycoside
GD039066
Name:
n-sulfo-flavin mononucleotideFormula:
C17H21O12N4PSSmiles:
Cc1cc2c(cc1C)[n+](S(=O)(=O)[O-])c1c(=O)[nH]c(=O)nc-1n2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
Cc1cc2c(cc1C)[n+](S(=O)(=O)[O-])c1c(=O)[nH]c(=O)nc-1n2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.41 | Num_heavy_atoms: | 35 |
| TPSA: | 256.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD24264
Formula: C13H12O5N4S
Smiles:
Cc1cc2c(cc1C)[n+](S(=O)(=O)[O-])c1c(=O)[nH]c(=O)nc-1n2C| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.33 | Num_heavy_atoms: | 23 |
| TPSA: | 128.83 | NumAromaticRings: | 1 |
