Glycoside
...
GD156123

Name:
theonegramide

Formula:
C75H99O26N16Br

Smiles:
CC(C=Cc1ccccc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CCCC(C(=O)O)N=C(O)C(O)CN=C(O)C(C(C)c4ccc(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(C1OCC(O)C(O)C1O)C3

Aglycone:
CC(C=Cc1ccccc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CCCC(C(=O)O)N=C(O)C(O)CN=C(O)C(C(C)c4ccc(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)NC3

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 7
HBD: 26 FractionCSP3: 0.48
AlogP: 2.81 Num_rotatable_bonds: 17
MolWt: 1720.61 Num_heavy_atoms: 118
TPSA: 714.32 NumAromaticRings: 3

Unique Aglycone
AD47340
Formula: C70H91O22N16Br

Smiles:
CC(C=Cc1ccccc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CCCC(C(=O)O)N=C(O)C(O)CN=C(O)C(C(C)c4ccc(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)NC3
HBA: 38 RingCount: 6
HBD: 24 FractionCSP3: 0.44
AlogP: 4.66 Num_rotatable_bonds: 16
MolWt: 1588.49 Num_heavy_atoms: 109
TPSA: 653.19 NumAromaticRings: 3

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O