Glycoside
GD133472
Name:
Bleomycin A2'-BFormula:
C53H80O21N18S2Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCN)cs3)cs2)C(C)O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(OC(=N)O)C2O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=NAglycone:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCN)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=NSugarmoiety:
N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 39 | RingCount: | 6 |
| HBD: | 27 | FractionCSP3: | 0.6 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 34 |
| MolWt: | 1369.46 | Num_heavy_atoms: | 94 |
| TPSA: | 674.24 | NumAromaticRings: | 4 |
Unique Aglycone
AD54023
Formula: C40H59O10N17S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCN)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N| HBA: | 27 | RingCount: | 4 |
| HBD: | 20 | FractionCSP3: | 0.5 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 27 |
| MolWt: | 1002.15 | Num_heavy_atoms: | 69 |
| TPSA: | 482.86 | NumAromaticRings: | 4 |
