Glycoside
...
GD122987

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

Formula:
C27H42O16

Smiles:
CCOC(=O)OC1CC2C(COC3OC(CO)C(O)C(O)C3O)=COC(C)(OC(=O)CC(C)C)C2C1(O)OC(=O)OCC

Aglycone:
CCOC(=O)OC1CC2C(CO)=COC(C)(OC(=O)CC(C)C)C2C1(O)OC(=O)OCC

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 5 FractionCSP3: 0.81
AlogP: 0.06 Num_rotatable_bonds: 11
MolWt: 622.62 Num_heavy_atoms: 43
TPSA: 226.2 NumAromaticRings: 0

Unique Aglycone
AD49607
Formula: C21H32O11

Smiles:
CCOC(=O)OC1CC2C(CO)=COC(C)(OC(=O)CC(C)C)C2C1(O)OC(=O)OCC
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.76
AlogP: 2.24 Num_rotatable_bonds: 8
MolWt: 460.48 Num_heavy_atoms: 32
TPSA: 147.05 NumAromaticRings: 0

Sugarmoiety
SD00003

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