Glycoside
...
GD019314

Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)oxy]oxan-4-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula:
C28H24O15

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1[C@H](O)[C@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H]1O

Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 9 FractionCSP3: 0.21
AlogP: 0.62 Num_rotatable_bonds: 6
MolWt: 600.49 Num_heavy_atoms: 43
TPSA: 257.04 NumAromaticRings: 4

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
AD06591
Formula: C13H8O7

Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.0
AlogP: 1.47 Num_rotatable_bonds: 0
MolWt: 276.2 Num_heavy_atoms: 20
TPSA: 131.36 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O