Glycoside

GD158364
Name:
Clavosolide BFormula:
C43H70O16Smiles:
COC1COC(OC2CC3CC(C4CC4C)OC(=O)CC4OC(CC(OC5OCC(OC)C(OC)C5OC)C4C)CC(C4CC4C)OC(=O)CC(O3)C2C)C(O)C1OCAglycone:
CC1CC1C1CC2CC(O)C(C)C(CC(=O)OC(C3CC3C)CC3CC(O)C(C)C(CC(=O)O1)O3)O2Sugarmoiety:
COC1COC(O)C(O)C1OC.COC1COC(O)C(OC)C1OCOther Identifiers
Properties
HBA: | 16 | RingCount: | 7 |
HBD: | 1 | FractionCSP3: | 0.95 |
AlogP: | 3.2 | Num_rotatable_bonds: | 11 |
MolWt: | 843.02 | Num_heavy_atoms: | 59 |
TPSA: | 174.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD13373
Formula: C28H44O8
Smiles:
CC1CC1C1CC2CC(O)C(C)C(CC(=O)OC(C3CC3C)CC3CC(O)C(C)C(CC(=O)O1)O3)O2HBA: | 8 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.93 |
AlogP: | 3.01 | Num_rotatable_bonds: | 2 |
MolWt: | 508.65 | Num_heavy_atoms: | 36 |
TPSA: | 111.52 | NumAromaticRings: | 0 |