Glycoside
...
GD033627

Name:
None

Formula:
C39H49O12Cl

Smiles:
CO[C@@H]1[C@@H](O[C@@H]2CC[C@]3(C(=O)O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[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)O)C1(O)CCC2C1=CC(=O)OC1.O=C(O)c1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 3 FractionCSP3: 0.71
AlogP: 4.46 Num_rotatable_bonds: 8
MolWt: 733.25 Num_heavy_atoms: 51
TPSA: 167.28 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
AD19489
Formula: C23H32O7

Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.83
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 420.5 Num_heavy_atoms: 30
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00057

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