Glycoside
...
GD140284

Name:
2-({2-[2-({4-[(1-{[2-(4-{4-[(3-amino-2-hydroxypropyl)carbamoyl]-1,3-thiazol-2-yl}-1,3-thiazol-2-yl)-1-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl)carbamoyl]-3-hydroxybutan-2-yl}carbamoyl)-2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-1-(1H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate

Formula:
C58H89O27N19S2

Smiles:
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)=NCC(O)CN)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)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCC(O)CN)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N

Sugarmoiety:
CC1OC(O)C(O)C(O)C1N.N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 46 RingCount: 7
HBD: 33 FractionCSP3: 0.64
AlogP: -6.26 Num_rotatable_bonds: 36
MolWt: 1548.59 Num_heavy_atoms: 106
TPSA: 799.64 NumAromaticRings: 4

Unique Aglycone
AD56568
Formula: C39H57O13N17S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCC(O)CN)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: 23 FractionCSP3: 0.49
AlogP: -1.24 Num_rotatable_bonds: 27
MolWt: 1036.12 Num_heavy_atoms: 71
TPSA: 543.55 NumAromaticRings: 4

Sugarmoiety
SD04958

CC1OC(O)C(O)C(O)C1N.N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O