Glycoside
...
GD158393

Name:
7-({7-[(7-{[7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carbonyloxy]methyl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carbonyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carbonyloxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C64H82O37

Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C(COC(=O)C5=COC(OC6OC(CO)C(O)C(O)C6O)C6C(COC(=O)C7=COC(OC8OC(CO)C(O)C(O)C8O)C8C(CO)=CCC78)=CCC56)=CCC34)=CCC12

Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)C3=COC(O)C4C(COC(=O)C5=COC(O)C6C(COC(=O)C7=COC(O)C8C(CO)=CCC78)=CCC56)=CCC34)=CCC12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.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: 37 RingCount: 12
HBD: 18 FractionCSP3: 0.69
AlogP: -7.83 Num_rotatable_bonds: 23
MolWt: 1443.32 Num_heavy_atoms: 101
TPSA: 570.87 NumAromaticRings: 0

Unique Aglycone
AD62528
Formula: C40H42O17

Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)C3=COC(O)C4C(COC(=O)C5=COC(O)C6C(COC(=O)C7=COC(O)C8C(CO)=CCC78)=CCC56)=CCC34)=CCC12
HBA: 17 RingCount: 8
HBD: 6 FractionCSP3: 0.5
AlogP: 0.87 Num_rotatable_bonds: 11
MolWt: 794.76 Num_heavy_atoms: 57
TPSA: 254.27 NumAromaticRings: 0

Sugarmoiety
SD00109

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