Glycoside
...
GD122103

Name:
[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Oxopropyl]Amino]-3-Oxopropyl]-5-Methylpyrimidine-4-Carbonyl]Amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-[3-[4-[(3-Amino-3-Oxopropyl)Amino]Butylamino]Propylcarbamoyl]-1,3-Thiazol-2-Yl]-1,3-Thiazol-2-Yl]Ethylamino]-3-Hydroxy-1-Oxob

Formula:
C60H94O22N20S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCNCCCCNCCC(=N)O)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=N

Aglycone:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCNCCCCNCCC(=N)O)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N

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

Other Identifiers

Properties
HBA: 42 RingCount: 6
HBD: 29 FractionCSP3: 0.63
AlogP: -1.68 Num_rotatable_bonds: 43
MolWt: 1511.66 Num_heavy_atoms: 104
TPSA: 716.36 NumAromaticRings: 4

Unique Aglycone
AD49186
Formula: C47H73O11N19S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCNCCCCNCCC(=N)O)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 30 RingCount: 4
HBD: 22 FractionCSP3: 0.55
AlogP: 2.15 Num_rotatable_bonds: 36
MolWt: 1144.36 Num_heavy_atoms: 79
TPSA: 524.98 NumAromaticRings: 4

Sugarmoiety
SD05420

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