Glycoside
GD142764
Name:
NoneFormula:
C76H141O34NSmiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2OCC(O)C(O)C2OC2OC(CO)C(O)C(OC3OC(C(O)CO)C(OC4OC(C(O)CO)C(O)C4O)C3OC3OC(C(O)CO)C(O)C3O)C2O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCSugarmoiety:
OCC(O)C1OC(OC2C(OC3C(O)C(CO)OC(OC4C(OCC5OC(O)C(O)C(O)C5O)OCC(O)C4O)C3O)OC(C(O)CO)C2OC2OC(C(O)CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 6 |
| HBD: | 22 | FractionCSP3: | 0.99 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 58 |
| MolWt: | 1612.94 | Num_heavy_atoms: | 111 |
| TPSA: | 568.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD55526
Formula: C41H83O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.3 | Num_rotatable_bonds: | 38 |
| MolWt: | 670.12 | Num_heavy_atoms: | 47 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
Sugarmoiety
SD04941
OCC(O)C1OC(OC2C(OC3C(O)C(CO)OC(OC4C(OCC5OC(O)C(O)C(O)C5O)OCC(O)C4O)C3O)OC(C(O)CO)C2OC2OC(C(O)CO)C(O)C2O)C(O)C1O