Glycoside
...
GD126956

Name:
12-hydroxy-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-9,16-dione

Formula:
C21H16O13

Smiles:
O=c1oc2c3c(cc4c(=O)oc5c(O)c(OC6OC(CO)C(O)C(O)C6O)cc1c5c24)OCO3

Aglycone:
O=c1oc2c3c(cc4c(=O)oc5c(O)c(O)cc1c5c24)OCO3

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.33
AlogP: -0.9 Num_rotatable_bonds: 3
MolWt: 476.35 Num_heavy_atoms: 34
TPSA: 198.49 NumAromaticRings: 4

Unique Aglycone
AD51391
Formula: C15H6O8

Smiles:
O=c1oc2c3c(cc4c(=O)oc5c(O)c(O)cc1c5c24)OCO3
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.07
AlogP: 1.63 Num_rotatable_bonds: 0
MolWt: 314.21 Num_heavy_atoms: 23
TPSA: 119.34 NumAromaticRings: 4

Sugarmoiety
SD00003

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