Glycoside
GD142022
Name:
PepleoFormula:
C61H88O21N18S2Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCNC(C)c4ccccc4)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)=NCCCNC(C)c4ccccc4)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: | 39 | RingCount: | 7 |
| HBD: | 26 | FractionCSP3: | 0.56 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 37 |
| MolWt: | 1473.61 | Num_heavy_atoms: | 102 |
| TPSA: | 660.25 | NumAromaticRings: | 5 |
Unique Aglycone
AD57174
Formula: C48H67O10N17S2
Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCNC(C)c4ccccc4)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N| HBA: | 27 | RingCount: | 5 |
| HBD: | 19 | FractionCSP3: | 0.46 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 30 |
| MolWt: | 1106.31 | Num_heavy_atoms: | 77 |
| TPSA: | 468.87 | NumAromaticRings: | 5 |
