Glycoside
...
GD007737

Name:
Beta-(4-Hydroxyphenyl)Ethyl-4-O-E-Caffeoyl-O-[Beta-D-Apiofuranosyl-(1->2)]-Beta-D-Glucopyranoside

Formula:
C28H34O14

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@H]1[C@H](CO)O[C@@H](OCCc2ccc(O)cc2)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O

Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)cc1

Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 8 FractionCSP3: 0.46
AlogP: -1.11 Num_rotatable_bonds: 11
MolWt: 594.57 Num_heavy_atoms: 42
TPSA: 225.06 NumAromaticRings: 2

Unique Aglycone
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
AD03863
Formula: C8H10O2

Smiles:
OCCc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 0.93 Num_rotatable_bonds: 2
MolWt: 138.17 Num_heavy_atoms: 10
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD00472

OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1O