Glycoside
GD157716
Name:
Microcystbiopterin BFormula:
C16H23O8N5Smiles:
COC1C(O)C(CO)OC(OC(C)C(O)c2cnc3[nH]c(=N)nc(O)c3n2)C1OAglycone:
CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1Sugarmoiety:
COC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 413.39 | Num_heavy_atoms: | 29 |
| TPSA: | 207.15 | 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 |
