Glycoside
...
GD131012

Name:
Banyaside B

Formula:
C39H63O18N7S

Smiles:
CCCCCC(=O)OCC1OC(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)C(O)C(O)C1O

Aglycone:
CCCCCC(=O)OC.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:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 11 FractionCSP3: 0.79
AlogP: -1.22 Num_rotatable_bonds: 21
MolWt: 950.03 Num_heavy_atoms: 65
TPSA: 378.93 NumAromaticRings: 0

Unique Aglycone
AD02869
Formula: C7H14O2

Smiles:
CCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.86
AlogP: 1.74 Num_rotatable_bonds: 4
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 26.3 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
SD00017

OC1OC(O)C(O)C(O)C1O