Glycoside
...
GD124423

Name:
2-[(2-carboxy-5-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6-(2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1-hydroxyethyl)-4-hydroxyoxan-2-yl)oxy]-4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6-(2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1-hydroxyethyl)-5-hydroxyoxane-2-carboxylic acid

Formula:
C52H50O27

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC(O)C1OC(OC2(C(=O)O)CC(O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C(C(O)COC(=O)C=Cc3ccc(O)c(O)c3)O2)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O

Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)OCCO.O=C(C=Cc1ccc(O)c(O)c1)OCCO.O=C(O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1

Sugarmoiety:
O=C(O)C1(OC2(C(=O)O)COOC(C(O)CO)O2)CC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 27 RingCount: 6
HBD: 14 FractionCSP3: 0.27
AlogP: 0.99 Num_rotatable_bonds: 20
MolWt: 1106.95 Num_heavy_atoms: 79
TPSA: 450.25 NumAromaticRings: 4

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
AD50263
Formula: C11H12O5

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCCO
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.18
AlogP: 0.65 Num_rotatable_bonds: 4
MolWt: 224.21 Num_heavy_atoms: 16
TPSA: 86.99 NumAromaticRings: 1

Sugarmoiety
SD06321

O=C(O)C1(OC2(C(=O)O)COOC(C(O)CO)O2)CC(O)C(O)C(O)O1