Glycoside

GD138830
Name:
NoneFormula:
C67H108O33Smiles:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C6=CC(O)C78C(=O)OC(C)(CCC=C(C)C)C7(O)CCC8(C)C6CCC5C4(C)C)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1OAglycone:
CC(C)=CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13OSugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(O)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1OOther Identifiers
Properties
HBA: | 33 | RingCount: | 11 |
HBD: | 17 | FractionCSP3: | 0.93 |
AlogP: | -5.0 | Num_rotatable_bonds: | 21 |
MolWt: | 1441.57 | Num_heavy_atoms: | 100 |
TPSA: | 499.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD56011
Formula: C30H46O5
Smiles:
CC(C)=CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13OHBA: | 5 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.83 |
AlogP: | 5.08 | Num_rotatable_bonds: | 3 |
MolWt: | 486.69 | Num_heavy_atoms: | 35 |
TPSA: | 86.99 | NumAromaticRings: | 0 |
Sugarmoiety

SD02623
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(O)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O