Glycoside
...
GD038661

Name:
[(2s,3r,4r,5s,6s)-2-[(3r,4r,5r,6r)-2-[(1r,2s)-2-[[6-amino-2-[(1s)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2s,3r,4r)-5-[[(2r,3s)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Formula:
C60H96O21N20S2

Smiles:
Cc1c(N)nc([C@H](CC(N)=O)NC[C@@H](N)C(N)=O)nc1C(=O)N[C@@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNCCCN)cs2)cs1)[C@H](C)O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1

Aglycone:
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNCCCN)cs2)cs1)C(C)O)C(O)c1c[nH]cn1

Sugarmoiety:
NC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 6
HBD: 29 FractionCSP3: 0.65
AlogP: -8.27 Num_rotatable_bonds: 43
MolWt: 1497.68 Num_heavy_atoms: 103
TPSA: 677.15 NumAromaticRings: 4

Unique Aglycone
AD09836
Formula: C47H75O10N19S2

Smiles:
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNCCCN)cs2)cs1)C(C)O)C(O)c1c[nH]cn1
HBA: 29 RingCount: 4
HBD: 22 FractionCSP3: 0.57
AlogP: -4.02 Num_rotatable_bonds: 36
MolWt: 1130.37 Num_heavy_atoms: 78
TPSA: 486.76 NumAromaticRings: 4

Sugarmoiety
SD00133

NC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O