Glycoside
GD135211
Name:
NoneFormula:
C61H115O21NSmiles:
CCCCCCCCCCCCCCCCCCCCCC(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)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCC(O)C(O)C([NH])CO.CCCCCCCCCCCCCCCCCCCCCSugarmoiety:
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: | 4.73 | Num_rotatable_bonds: | 48 |
| MolWt: | 1198.58 | Num_heavy_atoms: | 83 |
| TPSA: | 368.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD20531
Formula: C18H38O3N
Smiles:
CCCCCCCCCCCCCCC(O)C(O)C([NH])CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 16 |
| MolWt: | 316.51 | Num_heavy_atoms: | 22 |
| TPSA: | 84.49 | NumAromaticRings: | 0 |
AD47967
Formula: C21H44
Smiles:
CCCCCCCCCCCCCCCCCCCCC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 8.44 | Num_rotatable_bonds: | 18 |
| MolWt: | 296.58 | Num_heavy_atoms: | 21 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
