Glycoside
...
GD007393

Name:
SACCHARUMOSIDE A

Formula:
C34H40O14

Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3ccc([C@@H]4Oc5c(OC)cc(CCCO)cc5[C@H]4CO)cc3OC)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 6 FractionCSP3: 0.44
AlogP: 1.6 Num_rotatable_bonds: 13
MolWt: 672.68 Num_heavy_atoms: 48
TPSA: 203.06 NumAromaticRings: 3

Unique Aglycone
AD00095
Formula: C9H10O4

Smiles:
COC(=O)c1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 55.76 NumAromaticRings: 1
AD01856
Formula: C20H24O6

Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 2.54 Num_rotatable_bonds: 7
MolWt: 360.41 Num_heavy_atoms: 26
TPSA: 88.38 NumAromaticRings: 2

Sugarmoiety
SD00017

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