Glycoside
...
GD156655

Name:
Scilliroside

Formula:
C33H46O11

Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12

Aglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)C=C12

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.76
AlogP: 1.92 Num_rotatable_bonds: 5
MolWt: 618.72 Num_heavy_atoms: 44
TPSA: 176.12 NumAromaticRings: 1

Unique Aglycone
AD62008
Formula: C27H36O6

Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)C=C12
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.7
AlogP: 4.09 Num_rotatable_bonds: 2
MolWt: 456.58 Num_heavy_atoms: 33
TPSA: 96.97 NumAromaticRings: 1

Sugarmoiety
SD00003

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