Glycoside
...
GD034954

Name:
None

Formula:
C36H37O11N2Cl

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc[nH]2)[C@H](O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC(C)=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C

Aglycone:
CC(C)=C(C)Cc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O.O=C(O)c1ccc[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.34
AlogP: 5.45 Num_rotatable_bonds: 9
MolWt: 697.14 Num_heavy_atoms: 49
TPSA: 189.78 NumAromaticRings: 4

Unique Aglycone
AD22157
Formula: C23H20O6NCl

Smiles:
CC(C)=C(C)Cc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.18
AlogP: 4.71 Num_rotatable_bonds: 4
MolWt: 429.86 Num_heavy_atoms: 30
TPSA: 120.0 NumAromaticRings: 3
AD22158
Formula: C5H5O2N

Smiles:
O=C(O)c1ccc[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.71 Num_rotatable_bonds: 1
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 53.09 NumAromaticRings: 1

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C