Glycoside
GD153914
Name:
Beta-Glcp-(1-->6)-Beta-Glcp-(1-->6)-Beta-Glcpnacyl-(1-->2)-Alpha-Glcp-(1-->1)-Glycerol DiesterFormula:
C72H133O25NSmiles:
CCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1N=C(O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCC(=N)O.CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(OC4C(O)OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | 6.97 | Num_rotatable_bonds: | 56 |
| MolWt: | 1412.84 | Num_heavy_atoms: | 98 |
| TPSA: | 401.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD45534
Formula: C15H31ON
Smiles:
CCCCCCCCCCCCCCC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 13 |
| MolWt: | 241.42 | Num_heavy_atoms: | 17 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
AD57295
Formula: C33H64O5
Smiles:
CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 9.62 | Num_rotatable_bonds: | 30 |
| MolWt: | 540.87 | Num_heavy_atoms: | 38 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
