Glycoside
...
GD149010

Name:
2-{6-amino-2-[4-carbamoyl-4-(2-{2-[(3-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-(ethylamino)-6-hydroxy-2-(hydroxymethyl)oxan-4-yl)oxy]propanamido}propanamido)butanamido]hexanamido}propanoic acid

Formula:
C42H74O22N8

Smiles:
CCNC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)C1OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=N)O

Aglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=N)O

Sugarmoiety:
CCNC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 3
HBD: 19 FractionCSP3: 0.83
AlogP: -3.69 Num_rotatable_bonds: 28
MolWt: 1043.09 Num_heavy_atoms: 72
TPSA: 499.6 NumAromaticRings: 0

Unique Aglycone
AD48492
Formula: C20H36O8N6

Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=N)O
HBA: 14 RingCount: 0
HBD: 10 FractionCSP3: 0.7
AlogP: 1.24 Num_rotatable_bonds: 16
MolWt: 488.54 Num_heavy_atoms: 34
TPSA: 257.99 NumAromaticRings: 0

Sugarmoiety
SD09621

CCNC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)C1O