Glycoside
...
GD141422

Name:
(6-{[3,5-dihydroxy-2-methyl-6-({3,4,5-trihydroxy-6-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl}methoxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-phenylprop-2-enoate

Formula:
C36H44O17

Smiles:
CC1OC(OCC2OC(OC(=O)C=Cc3ccccc3)C(O)C(O)C2O)C(O)C(OC2OC(COC(=O)C=Cc3ccccc3)C(O)C(O)C2O)C1O

Aglycone:
COC(=O)C=Cc1ccccc1.O=C(O)C=Cc1ccccc1

Sugarmoiety:
CC1OC(OCC2OOC(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 8 FractionCSP3: 0.5
AlogP: -2.02 Num_rotatable_bonds: 12
MolWt: 748.73 Num_heavy_atoms: 53
TPSA: 260.59 NumAromaticRings: 2

Unique Aglycone
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD00648
Formula: C10H10O2

Smiles:
COC(=O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.1
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD08709

CC1OC(OCC2OOC(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O