Glycoside
GD147116
Name:
Tallysomycin BFormula:
C62H95O26N19S2Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(OC2OC(C)C(N)C(O)C2O)C(O)c2nc(-c3nc(C(O)=NCCCNCCCCN)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(C2CC(=O)N2CC(N)C(=N)O)[nH]c1=NAglycone:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCCCNCCCCN)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C2CC(=O)N2CC(N)C(=N)O)[nH]c1=NSugarmoiety:
CC1OC(O)C(O)C(O)C1N.N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 45 | RingCount: | 8 |
| HBD: | 30 | FractionCSP3: | 0.66 |
| AlogP: | -5.14 | Num_rotatable_bonds: | 38 |
| MolWt: | 1586.68 | Num_heavy_atoms: | 109 |
| TPSA: | 755.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD58924
Formula: C43H63O12N17S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCCCNCCCCN)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C2CC(=O)N2CC(N)C(=N)O)[nH]c1=N| HBA: | 29 | RingCount: | 5 |
| HBD: | 20 | FractionCSP3: | 0.53 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 29 |
| MolWt: | 1074.22 | Num_heavy_atoms: | 74 |
| TPSA: | 499.55 | NumAromaticRings: | 4 |
