Glycoside
...
GD145921

Name:
2-(4-hydroxyphenyl)ethyl 3-ethylidene-4-(2-{4-[2-(3-ethylidene-4-{2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carbonyloxy)ethyl]phenoxy}-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C56H66O24

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(OC(=O)CC3C(C(=O)OCCc4ccc(O)cc4)=COC(OC4OC(CO)C(O)C(O)C4O)C3=CC)cc2)C1CC(=O)Oc1ccc(CCO)cc1

Aglycone:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(OC(=O)CC3C(C(=O)OCCc4ccc(O)cc4)=COC(O)C3=CC)cc2)C1CC(=O)Oc1ccc(CCO)cc1

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

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 10 FractionCSP3: 0.46
AlogP: 0.33 Num_rotatable_bonds: 22
MolWt: 1123.12 Num_heavy_atoms: 80
TPSA: 362.88 NumAromaticRings: 3

Unique Aglycone
AD58545
Formula: C44H46O14

Smiles:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(OC(=O)CC3C(C(=O)OCCc4ccc(O)cc4)=COC(O)C3=CC)cc2)C1CC(=O)Oc1ccc(CCO)cc1
HBA: 14 RingCount: 5
HBD: 4 FractionCSP3: 0.32
AlogP: 4.68 Num_rotatable_bonds: 16
MolWt: 798.84 Num_heavy_atoms: 58
TPSA: 204.58 NumAromaticRings: 3

Sugarmoiety
SD00019

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