Glycoside
...
GD005601

Name:
Certonardoside D

Formula:
C39H66O17S

Smiles:
CO[C@@H]1[C@H](O[C@H]2[C@H](OC[C@H](C)[C@H](C)C=C[C@H](C)[C@@H]3C[C@H](O)[C@H]4[C@@]3(C)CC[C@H]3[C@@]4(O)C[C@H](O)[C@@H]4[C@H](O)[C@H](O)CC[C@]43C)OC[C@@H](O)[C@H]2OS(=O)(=O)O)OC[C@H](O)[C@H]1O

Aglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO.O=S(=O)(O)O

Sugarmoiety:
COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: -0.1 Num_rotatable_bonds: 12
MolWt: 839.01 Num_heavy_atoms: 57
TPSA: 271.59 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
AD04735
Formula: C28H48O6

Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.49 Num_rotatable_bonds: 5
MolWt: 480.69 Num_heavy_atoms: 34
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD00335

COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1O