Glycoside
GD146814
Name:
[3-(pentadecanoyloxy)-2-(tetradecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C50H93O23PSmiles:
CCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 39 |
| MolWt: | 1093.25 | Num_heavy_atoms: | 74 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD45491
Formula: C38H73O13P
Smiles:
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 33 |
| MolWt: | 768.96 | Num_heavy_atoms: | 52 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
