Glycoside
...
GD032398

Name:
None

Formula:
C39H47O10Cl

Smiles:
CO[C@@H]1[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)C(=CC[C@H]5C5=CC(=O)OC5)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC

Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1=CCC2C1=CC(=O)OC1.O=C(O)c1ccc(Cl)cc1

Sugarmoiety:
COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 10 RingCount: 7
HBD: 1 FractionCSP3: 0.66
AlogP: 5.38 Num_rotatable_bonds: 8
MolWt: 699.24 Num_heavy_atoms: 49
TPSA: 126.82 NumAromaticRings: 1

Unique Aglycone
AD02410
Formula: C8H5O2Cl

Smiles:
O=C(O)c1ccc(Cl)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 2.04 Num_rotatable_bonds: 1
MolWt: 156.57 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 1
AD20782
Formula: C23H30O5

Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1=CCC2C1=CC(=O)OC1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.74
AlogP: 2.7 Num_rotatable_bonds: 2
MolWt: 386.49 Num_heavy_atoms: 28
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00057

COC1C(O)OC(C)C(O)C1OC