Glycoside
GD119961
Name:
Microcystbiopterin AFormula:
C18H27O8N5Smiles:
COC1C(CO)OC(OC(C)C(O)c2cnc3[nH]c(=N)nc(O)c3n2)C(OC)C1OCAglycone:
CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1Sugarmoiety:
COC1C(O)OC(CO)C(OC)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 441.44 | Num_heavy_atoms: | 31 |
| TPSA: | 185.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD46585
Formula: C9H11O3N5
Smiles:
CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.22 | Num_heavy_atoms: | 17 |
| TPSA: | 139.0 | NumAromaticRings: | 2 |
