Glycoside
...
GD144042

Name:
Sublanceoside L6

Formula:
C61H96O24

Smiles:
COC1CC(OC2C(C)OC(OC3CC4=CCC5C(=O)C(C)(c6ccoc6C)CCC5C4(C)CC3O)CC2OC)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Aglycone:
Cc1occc1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 6 FractionCSP3: 0.89
AlogP: 3.14 Num_rotatable_bonds: 18
MolWt: 1213.42 Num_heavy_atoms: 85
TPSA: 299.27 NumAromaticRings: 1

Unique Aglycone
AD45674
Formula: C21H28O4

Smiles:
Cc1occc1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.67
AlogP: 3.29 Num_rotatable_bonds: 1
MolWt: 344.45 Num_heavy_atoms: 25
TPSA: 70.67 NumAromaticRings: 1

Sugarmoiety
SD05890

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1