Glycoside
GD139078
Name:
Bleomycin ZFormula:
C51H76O19N18S2Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCC(=N)N)cs3)cs2)C(C)O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(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)=NCC(=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:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 37 | RingCount: | 6 |
| HBD: | 26 | FractionCSP3: | 0.59 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 31 |
| MolWt: | 1309.41 | Num_heavy_atoms: | 90 |
| TPSA: | 644.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD56090
Formula: C39H56O10N18S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCC(=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: | 28 | RingCount: | 4 |
| HBD: | 21 | FractionCSP3: | 0.46 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 26 |
| MolWt: | 1001.13 | Num_heavy_atoms: | 69 |
| TPSA: | 506.71 | NumAromaticRings: | 4 |
