Glycoside
...
GD127778

Name:
2-[(2-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-2-[(4-{[1-({1-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-2-(4-{4-[(3-aminopropyl)carbamoyl]-1,3-thiazol-2-yl}-1,3-thiazol-2-yl)-2-hydroxyethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-3-hydroxybutan-2-yl)carbamoyl]-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:
C58H89O26N19S2

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)=NCCCN)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)=NCCCN)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: 45 RingCount: 7
HBD: 32 FractionCSP3: 0.64
AlogP: -5.23 Num_rotatable_bonds: 36
MolWt: 1532.59 Num_heavy_atoms: 105
TPSA: 779.41 NumAromaticRings: 4

Unique Aglycone
AD51754
Formula: C39H57O12N17S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCCCN)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: -0.21 Num_rotatable_bonds: 27
MolWt: 1020.13 Num_heavy_atoms: 70
TPSA: 523.32 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