Glycoside
...
GD136497

Name:
Furotrilliumoside

Formula:
C56H88O24

Smiles:
Cc1c(CCC(C)COC2OC(CO)C(O)C(O)C2O)oc2c1C1CCC3C(CC=C4CC(OC5OC(CO)C(OC6OC(C)C(OC7CC(O)C(O)C(C)O7)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC43C)C1C2

Aglycone:
Cc1c(CCC(C)CO)oc2c1C1CCC3C(CC=C4CC(O)CCC43C)C1C2

Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)CC(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 13 FractionCSP3: 0.89
AlogP: -1.45 Num_rotatable_bonds: 16
MolWt: 1145.3 Num_heavy_atoms: 80
TPSA: 368.43 NumAromaticRings: 1

Unique Aglycone
AD55178
Formula: C26H38O3

Smiles:
Cc1c(CCC(C)CO)oc2c1C1CCC3C(CC=C4CC(O)CCC43C)C1C2
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.77
AlogP: 5.31 Num_rotatable_bonds: 4
MolWt: 398.59 Num_heavy_atoms: 29
TPSA: 53.6 NumAromaticRings: 1

Sugarmoiety
SD08065

CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)CC(O)C1O.OCC1OC(O)C(O)C(O)C1O