Glycoside
...
GD128013

Name:
methyl 3-ethylidene-4-[2-({5-[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)-1-[({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)methyl]ethyl]-3-hydroxy-2-methylcyclopentyl}methoxy)-2-oxoethyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C61H86O34

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CC)C1CC(O)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CC

Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC)C1CC(O)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC

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

Other Identifiers

Properties
HBA: 34 RingCount: 7
HBD: 13 FractionCSP3: 0.7
AlogP: -4.59 Num_rotatable_bonds: 25
MolWt: 1363.33 Num_heavy_atoms: 95
TPSA: 503.86 NumAromaticRings: 0

Unique Aglycone
AD51857
Formula: C43H56O19

Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC)C1CC(O)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC
HBA: 19 RingCount: 4
HBD: 4 FractionCSP3: 0.58
AlogP: 1.94 Num_rotatable_bonds: 16
MolWt: 876.9 Num_heavy_atoms: 62
TPSA: 266.41 NumAromaticRings: 0

Sugarmoiety
SD00130

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