Glycoside

GD115934
Name:
NoneFormula:
C59H111O21NSmiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(=O)C(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1O)C(O)C(O)CCCCCCCCCCC(C)CAglycone:
CC(C)CCCCCCCCCCC(O)C(O)C([NH])CO.CCCCCCCCCCCCCCCCCCCCSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.O=C(CO)C(O)COOther Identifiers
Properties
HBA: | 22 | RingCount: | 3 |
HBD: | 14 | FractionCSP3: | 0.97 |
AlogP: | 3.81 | Num_rotatable_bonds: | 45 |
MolWt: | 1170.52 | Num_heavy_atoms: | 81 |
TPSA: | 368.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD08539
Formula: C20H42
Smiles:
CCCCCCCCCCCCCCCCCCCCHBA: | 0 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 1.0 |
AlogP: | 8.05 | Num_rotatable_bonds: | 17 |
MolWt: | 282.56 | Num_heavy_atoms: | 20 |
TPSA: | 0.0 | NumAromaticRings: | 0 |
AD45947
Formula: C17H36O3N
Smiles:
CC(C)CCCCCCCCCCC(O)C(O)C([NH])COHBA: | 4 | RingCount: | 0 |
HBD: | 4 | FractionCSP3: | 1.0 |
AlogP: | 2.91 | Num_rotatable_bonds: | 14 |
MolWt: | 302.48 | Num_heavy_atoms: | 21 |
TPSA: | 84.49 | NumAromaticRings: | 0 |