Glycoside
...
GD148655

Name:
Banyaside A

Formula:
C40H64O19N8S

Smiles:
CCCCCC(=O)OC1C(OC2CC3C(O)C4(C2)OC(O)=NC4C(C(O)=NCCC2=CCN(C(=N)N)C2)N3C(=O)C(CC(C)C)N=C(O)C(COS(=O)(=O)O)OC)OC(CO)C(O)C1OC(=N)O

Aglycone:
CCCCCC(=O)O.COC(COS(=O)(=O)O)C(O)=NC(CC(C)C)C(=O)N1C2CC(O)CC3(OC(O)=NC3C1C(O)=NCCC1=CCN(C(=N)N)C1)C2O

Sugarmoiety:
N=C(O)OC1C(O)C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 5
HBD: 12 FractionCSP3: 0.78
AlogP: -0.71 Num_rotatable_bonds: 22
MolWt: 993.06 Num_heavy_atoms: 68
TPSA: 412.01 NumAromaticRings: 0

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD53090
Formula: C27H43O12N7S

Smiles:
COC(COS(=O)(=O)O)C(O)=NC(CC(C)C)C(=O)N1C2CC(O)CC3(OC(O)=NC3C1C(O)=NCCC1=CCN(C(=N)N)C1)C2O
HBA: 19 RingCount: 4
HBD: 9 FractionCSP3: 0.74
AlogP: -1.18 Num_rotatable_bonds: 13
MolWt: 689.74 Num_heavy_atoms: 47
TPSA: 293.71 NumAromaticRings: 0

Sugarmoiety
SD06548

N=C(O)OC1C(O)C(O)OC(CO)C1O