Glycoside
GD153996
Name:
Bleomycin A2'-CFormula:
C55H79O21N19S2Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCc4cnc[nH]4)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)=NCCc4cnc[nH]4)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: | 40 | RingCount: | 7 |
| HBD: | 26 | FractionCSP3: | 0.56 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 34 |
| MolWt: | 1406.48 | Num_heavy_atoms: | 97 |
| TPSA: | 676.9 | NumAromaticRings: | 5 |
Unique Aglycone
AD61204
Formula: C42H58O10N18S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCc4cnc[nH]4)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: | 5 |
| HBD: | 19 | FractionCSP3: | 0.45 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 27 |
| MolWt: | 1039.18 | Num_heavy_atoms: | 72 |
| TPSA: | 485.52 | NumAromaticRings: | 5 |
