Glycoside
GD122466
Name:
Bleomycin B6Formula:
C65H106O21N26S2Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=N)N)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)=NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=N)N)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: | 47 | RingCount: | 6 |
| HBD: | 35 | FractionCSP3: | 0.63 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 46 |
| MolWt: | 1651.86 | Num_heavy_atoms: | 114 |
| TPSA: | 805.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD49351
Formula: C52H85O10N25S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=N)N)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N| HBA: | 35 | RingCount: | 4 |
| HBD: | 28 | FractionCSP3: | 0.56 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 39 |
| MolWt: | 1284.55 | Num_heavy_atoms: | 89 |
| TPSA: | 614.56 | NumAromaticRings: | 4 |
