Glycoside
...
GD120284

Name:
5-(acetyloxy)-4-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-{2-[3,4-bis(acetyloxy)phenyl]ethoxy}-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

Formula:
C43H54O23

Smiles:
CC(=O)Oc1ccc(CCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)cc3)C(OC3OC(C)C(O)C(O)C3OC(C)=O)C2OC(C)=O)cc1OC(C)=O

Aglycone:
CC(=O)Oc1ccc(CCO)cc1OC(C)=O.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
CC(=O)OC1C(OC2C(O)C(COC3OC(CO)C(O)C(O)C3O)OC(O)C2OC(C)=O)OC(C)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 7 FractionCSP3: 0.56
AlogP: -1.32 Num_rotatable_bonds: 17
MolWt: 938.88 Num_heavy_atoms: 66
TPSA: 328.49 NumAromaticRings: 2

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD12286
Formula: C12H14O5

Smiles:
CC(=O)Oc1ccc(CCO)cc1OC(C)=O
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: 1.07 Num_rotatable_bonds: 4
MolWt: 238.24 Num_heavy_atoms: 17
TPSA: 72.83 NumAromaticRings: 1

Sugarmoiety
SD05590

CC(=O)OC1C(OC2C(O)C(COC3OC(CO)C(O)C(O)C3O)OC(O)C2OC(C)=O)OC(C)C(O)C1O