Glycoside
GD122904
Name:
Bleomycin Dma2Formula:
C54H81O21N17S3Smiles:
CSCCCN=C(O)c1csc(-c2csc(CCN=C(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c3nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c3C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(=N)O)C3O)c3cnc[nH]3)C(C)O)n2)n1Aglycone:
CSCCCN=C(O)c1csc(-c2csc(CCN=C(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c3nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c3C)C(O)c3cnc[nH]3)C(C)O)n2)n1Sugarmoiety:
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: | 0.61 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 35 |
| MolWt: | 1400.54 | Num_heavy_atoms: | 95 |
| TPSA: | 648.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD49570
Formula: C41H60O10N16S3
Smiles:
CSCCCN=C(O)c1csc(-c2csc(CCN=C(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c3nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c3C)C(O)c3cnc[nH]3)C(C)O)n2)n1| HBA: | 26 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.51 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 28 |
| MolWt: | 1033.23 | Num_heavy_atoms: | 70 |
| TPSA: | 456.84 | NumAromaticRings: | 4 |
