Glycoside
GD145121
Name:
[3-(heptadec-7-enoyloxy)-2-(heptadecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C55H101O23PSmiles:
CCCCCCCCCC=CCCCCCC(=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)CCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 43 |
| MolWt: | 1161.36 | Num_heavy_atoms: | 79 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD45317
Formula: C43H81O13P
Smiles:
CCCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 8.28 | Num_rotatable_bonds: | 37 |
| MolWt: | 837.08 | Num_heavy_atoms: | 57 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
