Glycoside
GD010187
Name:
NoneFormula:
C52H67O16NSmiles:
CC=C(C)C(=O)O[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O[C@H](CCCCC)CCCCCN=C3CCC(=O)O3)O[C@@H](C)[C@@H](OC(C)=O)[C@H]2O)O[C@H](COC(=O)C=Cc2ccccc2)[C@H]1OC(=O)C=Cc1ccccc1Aglycone:
CC=C(C)C(=O)O.CCCCCC(O)CCCCCN=C1CCC(=O)O1.COC(=O)C=Cc1ccccc1.O=C(O)C=Cc1ccccc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 24 |
| MolWt: | 962.1 | Num_heavy_atoms: | 69 |
| TPSA: | 221.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD07908
Formula: C15H27O3N
Smiles:
CCCCCC(O)CCCCCN=C1CCC(=O)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 269.38 | Num_heavy_atoms: | 19 |
| TPSA: | 58.89 | NumAromaticRings: | 0 |
