Glycoside
...
GD158061

Name:
3-({3-[(3-{[3-(3,4-dihydroxycyclohexyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxycyclohexyl)-decahydro-1-benzopyran-1-ium-8-yl

Formula:
C36H38O18

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(OC2C(OC3=Cc4c(O)cc(O)cc4[OH+]C3=C3C=C[C](O)C=C3)OC(CO)C(O)C2O)OC(CO)C(O)C1O

Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 12 FractionCSP3: 0.33
AlogP: -0.71 Num_rotatable_bonds: 9
MolWt: 758.68 Num_heavy_atoms: 54
TPSA: 298.55 NumAromaticRings: 2

Unique Aglycone
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
AD45378
Formula: C15H13O5

Smiles:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1
HBA: 5 RingCount: 3
HBD: 5 FractionCSP3: 0.07
AlogP: 1.99 Num_rotatable_bonds: 0
MolWt: 273.26 Num_heavy_atoms: 20
TPSA: 93.72 NumAromaticRings: 1

Sugarmoiety
SD00114

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O