Glycoside
GD134233
Name:
Tallysomycin S10BFormula:
C59H91O26N19S2Smiles:
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)=NCCCCN)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)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCCCCN)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(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: | 7 |
| HBD: | 32 | FractionCSP3: | 0.64 |
| AlogP: | -4.84 | Num_rotatable_bonds: | 37 |
| MolWt: | 1546.62 | Num_heavy_atoms: | 106 |
| TPSA: | 779.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD54304
Formula: C40H59O12N17S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCCCCN)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N| HBA: | 29 | RingCount: | 4 |
| HBD: | 22 | FractionCSP3: | 0.5 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 28 |
| MolWt: | 1034.15 | Num_heavy_atoms: | 71 |
| TPSA: | 523.32 | NumAromaticRings: | 4 |
