Glycoside
GD003250
Name:
NoneFormula:
C48H65O12FSmiles:
CCC(C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](OC(=O)c4ccc(F)cc4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.O=C(O)c1ccc(F)cc1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 7.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 853.03 | Num_heavy_atoms: | 61 |
| TPSA: | 148.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD02409
Formula: C34H50O8
Smiles:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 586.77 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
AD02961
Formula: C7H5O2F
Smiles:
O=C(O)c1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.11 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
