Glycoside
...
GD114908

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

Formula:
C42H54O22

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)cc1

Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC(=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: -1.96 Num_rotatable_bonds: 16
MolWt: 910.87 Num_heavy_atoms: 64
TPSA: 322.42 NumAromaticRings: 1

Unique Aglycone
AD45356
Formula: C30H34O12

Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)cc1
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.4
AlogP: 2.39 Num_rotatable_bonds: 10
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