Glycoside
...
GD156938

Name:
4-hydroxy-6-(hydroxymethyl)-2,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 2-[5-({[6,7,8,11,12,13-hexahydroxy-3,16-dioxo-22,23-bis(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4,6,8,10(15),11,13-hexaen-21-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate

Formula:
C68H52O44

Smiles:
O=C(OC1OC(CO)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc(C(=O)OC2OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC(C3OC(=O)c3cc(O)c(O)c(O)c3)C2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1

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

Other Identifiers

Properties
HBA: 44 RingCount: 11
HBD: 25 FractionCSP3: 0.18
AlogP: 1.79 Num_rotatable_bonds: 15
MolWt: 1573.12 Num_heavy_atoms: 112
TPSA: 743.84 NumAromaticRings: 8

Unique Aglycone
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD62094
Formula: C48H34O31

Smiles:
O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1
HBA: 31 RingCount: 8
HBD: 18 FractionCSP3: 0.12
AlogP: 2.57 Num_rotatable_bonds: 9
MolWt: 1106.77 Num_heavy_atoms: 79
TPSA: 531.17 NumAromaticRings: 6

Sugarmoiety
SD00003

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