Glycoside
...
GD017992

Name:
5,13-bis(3,4-dihydroxyphenyl)-21-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol

Formula:
C36H34O17

Smiles:
OC[C@@H]1O[C@H](O[C@@H]2[C@@H]3c4c(O)cc(O)cc4O[C@@]2(c2ccc(O)c(O)c2)Oc2cc(O)c4c(c23)O[C@H](c2ccc(O)c(O)c2)[C@H](O)C4)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1O)OC(c1ccc(O)c(O)c1)C(O)C4

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 12 FractionCSP3: 0.33
AlogP: 0.62 Num_rotatable_bonds: 5
MolWt: 738.65 Num_heavy_atoms: 53
TPSA: 288.91 NumAromaticRings: 4

Unique Aglycone
AD08373
Formula: C30H24O12

Smiles:
Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1O)OC(c1ccc(O)c(O)c1)C(O)C4
HBA: 12 RingCount: 7
HBD: 9 FractionCSP3: 0.2
AlogP: 2.79 Num_rotatable_bonds: 2
MolWt: 576.51 Num_heavy_atoms: 42
TPSA: 209.76 NumAromaticRings: 4

Sugarmoiety
SD00003

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