Glycoside
...
GD154448

Name:
None

Formula:
C56H90O27S

Smiles:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CCCC(C)(C)OC(C)=O)C8CCC9(C)C7CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(O)C3O)C2O)C1O

Aglycone:
CC(=O)OC(C)(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13.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: 11 FractionCSP3: 0.93
AlogP: -0.82 Num_rotatable_bonds: 18
MolWt: 1227.38 Num_heavy_atoms: 84
TPSA: 401.57 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
AD45379
Formula: C32H50O6

Smiles:
CC(=O)OC(C)(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.88
AlogP: 5.73 Num_rotatable_bonds: 5
MolWt: 530.75 Num_heavy_atoms: 38
TPSA: 93.06 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