Glycoside
...
GD134266

Name:
methyl 4-(2-{2-[4-({2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)phenyl]ethoxy}-2-oxoethyl)-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C42H54O22

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)cc1

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)cc1

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 8 FractionCSP3: 0.57
AlogP: -2.1 Num_rotatable_bonds: 17
MolWt: 910.87 Num_heavy_atoms: 64
TPSA: 322.42 NumAromaticRings: 1

Unique Aglycone
AD54322
Formula: C30H34O12

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)cc1
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.4
AlogP: 2.25 Num_rotatable_bonds: 11
MolWt: 586.59 Num_heavy_atoms: 42
TPSA: 164.12 NumAromaticRings: 1

Sugarmoiety
SD00019

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