Glycoside
...
GD134219

Name:
14-ethylidene-4-hydroxy-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10,16,20-tetraoxatetracyclo[21.2.2.1³,⁷.0¹³,¹⁸]octacosa-1(25),3(28),4,6,17,23,26-heptaene-11,19-dione

Formula:
C32H36O13

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21

Aglycone:
CC=C1C(O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.44
AlogP: 1.38 Num_rotatable_bonds: 3
MolWt: 628.63 Num_heavy_atoms: 45
TPSA: 190.67 NumAromaticRings: 2

Unique Aglycone
AD50368
Formula: C26H26O8

Smiles:
CC=C1C(O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.31
AlogP: 3.55 Num_rotatable_bonds: 0
MolWt: 466.49 Num_heavy_atoms: 34
TPSA: 111.52 NumAromaticRings: 2

Sugarmoiety
SD00003

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