Glycoside
GD137604
Name:
Bleomycin B1'Formula:
C50H73O21N17S2Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(=N)O)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(=N)O)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: | 38 | RingCount: | 6 |
| HBD: | 26 | FractionCSP3: | 0.58 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 31 |
| MolWt: | 1312.37 | Num_heavy_atoms: | 90 |
| TPSA: | 659.71 | NumAromaticRings: | 4 |
Unique Aglycone
AD55580
Formula: C37H52O10N16S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(=N)O)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N| HBA: | 26 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.46 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 24 |
| MolWt: | 945.06 | Num_heavy_atoms: | 65 |
| TPSA: | 468.33 | NumAromaticRings: | 4 |
