Glycoside
...
GD122277

Name:
Stemmoside C

Formula:
C54H88O20

Smiles:
CCC1CC(=O)C2(O)C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(O)C(OC8CC(OC)C(OC9OC(CO)C(O)C(O)C9O)C(C)O8)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CCC12C

Aglycone:
CCC1CC(=O)C2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 6 FractionCSP3: 0.94
AlogP: 2.94 Num_rotatable_bonds: 15
MolWt: 1057.28 Num_heavy_atoms: 74
TPSA: 258.44 NumAromaticRings: 0

Unique Aglycone
AD47269
Formula: C21H32O3

Smiles:
CCC1CC(=O)C2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.86
AlogP: 3.63 Num_rotatable_bonds: 1
MolWt: 332.48 Num_heavy_atoms: 24
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD02553

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1