Glycoside
...
GD143650

Name:
methyl 6-hydroxy-7-{2-[3-({[6-hydroxy-4-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl]methoxy}carbonyl)-2,4-bis(4-hydroxyphenyl)cyclobutoxy]-2-oxoethyl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

Formula:
C52H64O26

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2COC(=O)C1C(c2ccc(O)cc2)C(OC(=O)CC2C(O)CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C32)C1c1ccc(O)cc1

Aglycone:
COC(=O)C1=COC(O)C2C1CC(O)C2COC(=O)C1C(c2ccc(O)cc2)C(OC(=O)CC2C(O)CC3C(C(=O)OC)=COC(O)C32)C1c1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 12 FractionCSP3: 0.62
AlogP: -2.87 Num_rotatable_bonds: 16
MolWt: 1105.06 Num_heavy_atoms: 78
TPSA: 403.34 NumAromaticRings: 2

Unique Aglycone
AD57764
Formula: C40H44O16

Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2COC(=O)C1C(c2ccc(O)cc2)C(OC(=O)CC2C(O)CC3C(C(=O)OC)=COC(O)C32)C1c1ccc(O)cc1
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.5
AlogP: 1.48 Num_rotatable_bonds: 10
MolWt: 780.78 Num_heavy_atoms: 56
TPSA: 245.04 NumAromaticRings: 2

Sugarmoiety
SD00019

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