Glycoside
...
GD005853

Name:
LNTERCEDENSIDE H

Formula:
C55H83O26S

Smiles:
CO[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](C)O[C@H](O[C@@H]4[C@H](O[C@@H]5CC[C@]6(C)[C@@H]7CC[C@]89C(=O)O[C@@](C)(C=CC=C(C)C)[C@@]8(O)[C@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OC[C@H](OS(=O)(=O)[O-])[C@H]4O)[C@H](O)[C@H]3O)OC[C@H]2O)O[C@H](CO)[C@H]1O

Aglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13O.O=S(=O)([O-])O

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

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 9 FractionCSP3: 0.85
AlogP: -0.83 Num_rotatable_bonds: 15
MolWt: 1192.31 Num_heavy_atoms: 82
TPSA: 384.17 NumAromaticRings: 0

Unique Aglycone
AD00426
Formula: HO4S

Smiles:
O=S(=O)([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -1.0 Num_rotatable_bonds: 0
MolWt: 97.07 Num_heavy_atoms: 5
TPSA: 77.43 NumAromaticRings: 0
AD01932
Formula: C32H46O6

Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13O
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.75
AlogP: 5.43 Num_rotatable_bonds: 3
MolWt: 526.71 Num_heavy_atoms: 38
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00327

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