Glycoside
...
GD136464

Name:
17-Hydroxyfuscocineroside B

Formula:
C54H86O27S

Smiles:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(C(=O)CCC(C)C)C8(O)CCC9(C)C7CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(O)C3O)C2O)C1O

Aglycone:
CC(C)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O.O=S(=O)(O)O

Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 12 FractionCSP3: 0.93
AlogP: -2.22 Num_rotatable_bonds: 17
MolWt: 1199.32 Num_heavy_atoms: 82
TPSA: 412.57 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD55159
Formula: C30H46O6

Smiles:
CC(C)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 4.34 Num_rotatable_bonds: 4
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00651

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O