Glycoside
...
GD129133

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

Formula:
C35H44O16

Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)OC3CC(C)(O)C4C(OC5OC(CO)C(O)C(O)C5O)OC=CC34)cc2OC)ccc1O

Aglycone:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)OC3CC(C)(O)C4C(O)OC=CC34)cc2OC)ccc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 8 FractionCSP3: 0.51
AlogP: -0.12 Num_rotatable_bonds: 13
MolWt: 720.72 Num_heavy_atoms: 51
TPSA: 243.52 NumAromaticRings: 2

Unique Aglycone
AD52306
Formula: C29H34O11

Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)OC3CC(C)(O)C4C(O)OC=CC34)cc2OC)ccc1O
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.41
AlogP: 2.06 Num_rotatable_bonds: 10
MolWt: 558.58 Num_heavy_atoms: 40
TPSA: 164.37 NumAromaticRings: 2

Sugarmoiety
SD00003

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