Glycoside
...
GD026365

Name:
None

Formula:
C68H40O16Cl6

Smiles:
COc1cc(OC(=O)c2ccc(Cl)cc2)c(C(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(O[C@@H]2O[C@H](COC(=O)c3ccc(Cl)cc3)[C@H](OC(=O)c3ccc(Cl)cc3)[C@H](OC(=O)c3ccc(Cl)cc3)[C@H]2OC(=O)c2ccc(Cl)cc2)c1

Aglycone:
COC(=O)c1ccc(Cl)cc1.COc1cc(O)c(C(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(OC(=O)c2ccc(Cl)cc2)c1.O=C(O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 0 FractionCSP3: 0.11
AlogP: 13.92 Num_rotatable_bonds: 18
MolWt: 1253.7 Num_heavy_atoms: 84
TPSA: 202.56 NumAromaticRings: 8

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
AD14758
Formula: C9H7O2Cl

Smiles:
COC(=O)c1ccc(Cl)cc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 2.13 Num_rotatable_bonds: 1
MolWt: 170.59 Num_heavy_atoms: 11
TPSA: 26.3 NumAromaticRings: 1
AD17386
Formula: C30H18O7Cl2

Smiles:
COc1cc(O)c(C(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(OC(=O)c2ccc(Cl)cc2)c1
HBA: 7 RingCount: 4
HBD: 1 FractionCSP3: 0.04
AlogP: 6.38 Num_rotatable_bonds: 7
MolWt: 537.35 Num_heavy_atoms: 37
TPSA: 99.13 NumAromaticRings: 4

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O