Glycoside
GD130258
Name:
[2,3-bis(icosanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C61H115O23PSmiles:
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.97 |
| AlogP: | 6.49 | Num_rotatable_bonds: | 50 |
| MolWt: | 1247.54 | Num_heavy_atoms: | 85 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD45527
Formula: C49H95O13P
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 10.85 | Num_rotatable_bonds: | 44 |
| MolWt: | 923.26 | Num_heavy_atoms: | 63 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
