Glycoside
...
GD139683

Name:
methyl 6-(acetyloxy)-5-{[2-(4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,3,5-trimethyl-6-oxooxane-2-carbonyloxy)acetyl]oxy}-7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

Formula:
C39H48O22

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(OC(=O)COC(=O)C1OC(=O)C(C)C(OC(=O)C=Cc3ccc(O)c(O)c3)C1(C)C)C(OC(C)=O)C2(C)O

Aglycone:
COC(=O)C1=COC(O)C2C1C(OC(=O)COC(=O)C1OC(=O)C(C)C(OC(=O)C=Cc3ccc(O)c(O)c3)C1(C)C)C(OC(C)=O)C2(C)O

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 7 FractionCSP3: 0.59
AlogP: -1.78 Num_rotatable_bonds: 12
MolWt: 868.79 Num_heavy_atoms: 61
TPSA: 327.1 NumAromaticRings: 1

Unique Aglycone
AD56326
Formula: C33H38O17

Smiles:
COC(=O)C1=COC(O)C2C1C(OC(=O)COC(=O)C1OC(=O)C(C)C(OC(=O)C=Cc3ccc(O)c(O)c3)C1(C)C)C(OC(C)=O)C2(C)O
HBA: 17 RingCount: 4
HBD: 4 FractionCSP3: 0.52
AlogP: 0.4 Num_rotatable_bonds: 9
MolWt: 706.65 Num_heavy_atoms: 50
TPSA: 247.95 NumAromaticRings: 1

Sugarmoiety
SD00003

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