Glycoside
GD138517
Name:
[2-(icosanoyloxy)-3-(octadecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C59H111O23PSmiles:
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
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: | 5.71 | Num_rotatable_bonds: | 48 |
| MolWt: | 1219.49 | Num_heavy_atoms: | 83 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD55903
Formula: C47H91O13P
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 10.06 | Num_rotatable_bonds: | 42 |
| MolWt: | 895.21 | Num_heavy_atoms: | 61 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
