Glycoside
...
GD154785

Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-({[3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3-methoxycyclohexyl)-5-{[3,4,5-trihydroxy-6-({[3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-({[3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}cyclohexyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-decahydro-1-benzopyran-1-ium-4-yl

Formula:
C79H92O45

Smiles:
COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3OC3OC(COC(=O)C=Cc4ccc(OC5OC(CO)C(O)C(O)C5O)c(O)c4)C(O)C(O)C3O)C=C3[C](C=C(O)C=C3OC3OC(COC(=O)C=Cc4ccc(OC5OC(COC(=O)C=Cc6ccc(O)c(OC7OC(CO)C(O)C(O)C7O)c6)C(O)C(O)C5O)c(O)c4)C(O)C(O)C3O)[OH+]2)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)ccc1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 45 RingCount: 12
HBD: 26 FractionCSP3: 0.47
AlogP: -7.12 Num_rotatable_bonds: 29
MolWt: 1761.56 Num_heavy_atoms: 124
TPSA: 717.44 NumAromaticRings: 4

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD45539
Formula: C16H15O6

Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)ccc1O
HBA: 6 RingCount: 3
HBD: 5 FractionCSP3: 0.12
AlogP: 2.36 Num_rotatable_bonds: 2
MolWt: 303.29 Num_heavy_atoms: 22
TPSA: 102.95 NumAromaticRings: 1

Sugarmoiety
SD10274

OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O