Glycoside
GD115424
Name:
NoneFormula:
C63H119O21NSmiles:
CCCCCCCCCCCCCCCCCCCCCCC(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)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(O)C(O)C([NH])CO.CCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
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: | 5.51 | Num_rotatable_bonds: | 50 |
| MolWt: | 1226.63 | Num_heavy_atoms: | 85 |
| TPSA: | 368.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD20532
Formula: C22H46
Smiles:
CCCCCCCCCCCCCCCCCCCCCC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 8.83 | Num_rotatable_bonds: | 19 |
| MolWt: | 310.61 | Num_heavy_atoms: | 22 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD45658
Formula: C19H40O3N
Smiles:
CCCCCCCCCCCCCCCC(O)C(O)C([NH])CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 17 |
| MolWt: | 330.53 | Num_heavy_atoms: | 23 |
| TPSA: | 84.49 | NumAromaticRings: | 0 |
