Glycoside
GD122237
Name:
Combimicin B2Formula:
C20H41O8N5Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)CCC3N)C2O)OC(CO)C1(C)OAglycone:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OC(CO)C1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -4.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.58 | Num_heavy_atoms: | 33 |
| TPSA: | 233.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD01521
Formula: C12H26O4N4
Smiles:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.36 | Num_heavy_atoms: | 20 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
