Glycoside
GD010939
Name:
NoneFormula:
C44H59O11NSmiles:
CC=CC=C[C@@H]1O[C@](O)([C@H](C)C(=O)NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)CAglycone:
C=CC=CC.CCC(=O)NCC=CC=C(C)C(OC)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1.O=C(O)Cc1ccccc1Sugarmoiety:
CC1(C)C(O)OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 18 |
| MolWt: | 777.95 | Num_heavy_atoms: | 56 |
| TPSA: | 181.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD00163
Formula: C5H8
Smiles:
C=CC=CC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 68.12 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD06452
Formula: C24H35O6N
Smiles:
CCC(=O)NCC=CC=C(C)C(OC)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 433.55 | Num_heavy_atoms: | 31 |
| TPSA: | 105.09 | NumAromaticRings: | 0 |
