Glycoside
GD017203
Name:
NoneFormula:
C61H83O10NPSmiles:
CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@H]3[C@H]4C[C@@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@H]5OC)C[C@H]4C=C[C@@H]3[C@H]2CC(=O)O1Aglycone:
CCC1CCCC(OC2CCC(N(C)CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 0 | FractionCSP3: | 0.61 |
| AlogP: | 9.24 | Num_rotatable_bonds: | 16 |
| MolWt: | 1021.31 | Num_heavy_atoms: | 73 |
| TPSA: | 111.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD12306
Formula: C52H67O6NP
Smiles:
CCC1CCCC(OC2CCC(N(C)CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 7 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 8.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 833.08 | Num_heavy_atoms: | 60 |
| TPSA: | 85.3 | NumAromaticRings: | 3 |
