Glycoside
...
GD130008

Name:
methyl 5-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

Formula:
C26H32O15

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)C(O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C12

Aglycone:
COC(=O)C1=COC(O)C2C(CO)C(O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C12

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 8 FractionCSP3: 0.54
AlogP: -2.53 Num_rotatable_bonds: 8
MolWt: 584.53 Num_heavy_atoms: 41
TPSA: 242.13 NumAromaticRings: 1

Unique Aglycone
AD52673
Formula: C20H22O10

Smiles:
COC(=O)C1=COC(O)C2C(CO)C(O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C12
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.4
AlogP: -0.36 Num_rotatable_bonds: 5
MolWt: 422.39 Num_heavy_atoms: 30
TPSA: 162.98 NumAromaticRings: 1

Sugarmoiety
SD00003

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