Glycoside
GD157002
Name:
Bleomycin A2Formula:
C55H85O21N17S3Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCC[SH](C)C)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)=NCCC[SH](C)C)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: | 25 | FractionCSP3: | 0.62 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 35 |
| MolWt: | 1416.58 | Num_heavy_atoms: | 96 |
| TPSA: | 648.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD62115
Formula: C42H64O10N16S3
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCC[SH](C)C)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: | 18 | FractionCSP3: | 0.52 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 28 |
| MolWt: | 1049.28 | Num_heavy_atoms: | 71 |
| TPSA: | 456.84 | NumAromaticRings: | 4 |
