Glycoside
...
GD138558

Name:
None

Formula:
C74H96O27N16Br2

Smiles:
CC(C=Cc1ccc(Br)cc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CC(O)CC(C(=O)O)N=C(O)CCN=C(O)C(Cc4ccc(Br)cc4)N=C(O)C(C(O)C(=N)O)N=C(O)C(CC(=N)O)N=C2O)C(O)=NC(C(C)O)C(O)=NC(CO)C(O)=NC(Cc2ccccc2)C(O)=N1)N(OC1COC(O)C(O)C1O)C3

Aglycone:
CC(C=Cc1ccc(Br)cc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CC(O)CC(C(=O)O)N=C(O)CCN=C(O)C(Cc4ccc(Br)cc4)N=C(O)C(C(O)C(=N)O)N=C(O)C(CC(=N)O)N=C2O)C(O)=NC(C(C)O)C(O)=NC(CO)C(O)=NC(Cc2ccccc2)C(O)=N1)N(O)C3

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 43 RingCount: 7
HBD: 26 FractionCSP3: 0.47
AlogP: 2.95 Num_rotatable_bonds: 18
MolWt: 1801.48 Num_heavy_atoms: 119
TPSA: 723.55 NumAromaticRings: 3

Unique Aglycone
AD48648
Formula: C69H88O23N16Br2

Smiles:
CC(C=Cc1ccc(Br)cc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CC(O)CC(C(=O)O)N=C(O)CCN=C(O)C(Cc4ccc(Br)cc4)N=C(O)C(C(O)C(=N)O)N=C(O)C(CC(=N)O)N=C2O)C(O)=NC(C(C)O)C(O)=NC(CO)C(O)=NC(Cc2ccccc2)C(O)=N1)N(O)C3
HBA: 39 RingCount: 6
HBD: 24 FractionCSP3: 0.43
AlogP: 4.97 Num_rotatable_bonds: 16
MolWt: 1669.36 Num_heavy_atoms: 110
TPSA: 664.63 NumAromaticRings: 3

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O