Glycoside
...
GD125849

Name:
{6-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-{[(2-methylbut-2-enoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-{[(2-methylbut-2-enoyl)oxy]methyl}oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 2-methylbut-2-enoate

Formula:
C39H60O24

Smiles:
CC=C(C)C(=O)OCC1OC(OC2C(OC3OC(COC(=O)C(C)=CC)C(O)C(O)C3OC3OC(COC(=O)C(C)=CC)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC=C(C)C(=O)OC.CC=C(C)C(=O)OC.CC=C(C)C(=O)OC

Sugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 11 FractionCSP3: 0.77
AlogP: -5.2 Num_rotatable_bonds: 16
MolWt: 912.89 Num_heavy_atoms: 63
TPSA: 366.04 NumAromaticRings: 0

Unique Aglycone
AD45418
Formula: C6H10O2

Smiles:
CC=C(C)C(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.5
AlogP: 1.13 Num_rotatable_bonds: 1
MolWt: 114.14 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD06541

OCC1OC(OC2OC(O)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O