Glycoside
...
GD137801

Name:
None

Formula:
C65H101O27NS2

Smiles:
C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)OCC(C)=CC=CCOC(=O)CC=CCCC(O)=NCC(O)CC(O)C(OS(=O)(=O)O)C(O)COS(=O)(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C

Aglycone:
C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)OCC(C)=CC=CCOC(=O)CC=CCCC(O)=NCC(C)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C

Sugarmoiety:
O=S(=O)(O)OCC(O)C(OS(=O)(=O)O)C(O)O

Other Identifiers

Properties
HBA: 28 RingCount: 7
HBD: 10 FractionCSP3: 0.77
AlogP: 4.88 Num_rotatable_bonds: 31
MolWt: 1392.64 Num_heavy_atoms: 95
TPSA: 418.61 NumAromaticRings: 0

Unique Aglycone
AD55655
Formula: C61H93O17N

Smiles:
C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)OCC(C)=CC=CCOC(=O)CC=CCCC(O)=NCC(C)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C
HBA: 18 RingCount: 7
HBD: 6 FractionCSP3: 0.75
AlogP: 7.78 Num_rotatable_bonds: 22
MolWt: 1112.4 Num_heavy_atoms: 79
TPSA: 250.95 NumAromaticRings: 0

Sugarmoiety
SD05807

O=S(=O)(O)OCC(O)C(OS(=O)(=O)O)C(O)O