Glycoside
...
GD153013

Name:
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-carboxylic acid

Formula:
C48H62O28

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(CO)=CCC56)=CCC34)=CCC12

Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)C3=COC(O)C4C(COC(=O)C5=COC(O)C6C(CO)=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

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 14 FractionCSP3: 0.69
AlogP: -5.99 Num_rotatable_bonds: 17
MolWt: 1087.0 Num_heavy_atoms: 76
TPSA: 435.96 NumAromaticRings: 0

Unique Aglycone
AD60885
Formula: C30H32O13

Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)C3=COC(O)C4C(COC(=O)C5=COC(O)C6C(CO)=CCC56)=CCC34)=CCC12
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.5
AlogP: 0.53 Num_rotatable_bonds: 8
MolWt: 600.57 Num_heavy_atoms: 43
TPSA: 198.51 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