Glycoside
GD134171
Name:
Zorbamycin BFormula:
C54H81O21N19S2Smiles:
Cc1c(C(O)=NC(C(O)=NC(CCO)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCC(=N)N)cs3)cs2)C(C)O)C(OC2OC(C)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(CCO)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCC(=N)N)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(OC2OC(CO)C(O)C(OC(=N)O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 40 | RingCount: | 6 |
| HBD: | 28 | FractionCSP3: | 0.59 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 35 |
| MolWt: | 1396.49 | Num_heavy_atoms: | 96 |
| TPSA: | 698.09 | NumAromaticRings: | 4 |
Unique Aglycone
AD54280
Formula: C41H60O11N18S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(CCO)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCC(=N)N)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: | 0.49 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 29 |
| MolWt: | 1045.18 | Num_heavy_atoms: | 72 |
| TPSA: | 526.94 | NumAromaticRings: | 4 |
