Glycoside

GD132752
Name:
NoneFormula:
C69H128O24N2Smiles:
CCCCCCCCCCCCCCCC=CCC(O)C(O)C(N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(O)COC)C(C(O)C(O)CO)O3)C2O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC=CCC(O)C(O)C(O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC.COCC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 26 | RingCount: | 3 |
HBD: | 16 | FractionCSP3: | 0.93 |
AlogP: | 6.27 | Num_rotatable_bonds: | 56 |
MolWt: | 1369.77 | Num_heavy_atoms: | 95 |
TPSA: | 430.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD53743
Formula: C45H89O5N
Smiles:
CCCCCCCCCCCCCCCC=CCC(O)C(O)C(O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCHBA: | 6 | RingCount: | 0 |
HBD: | 5 | FractionCSP3: | 0.93 |
AlogP: | 12.98 | Num_rotatable_bonds: | 41 |
MolWt: | 724.21 | Num_heavy_atoms: | 51 |
TPSA: | 113.51 | NumAromaticRings: | 0 |
AD53744
Formula: C12H21O10N
Smiles:
COCC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COHBA: | 11 | RingCount: | 1 |
HBD: | 7 | FractionCSP3: | 0.83 |
AlogP: | -3.4 | Num_rotatable_bonds: | 7 |
MolWt: | 339.3 | Num_heavy_atoms: | 23 |
TPSA: | 189.5 | NumAromaticRings: | 0 |