Glycoside
GD112696
Name:
NoneFormula:
C27H24O8NBrSmiles:
COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1cccc(C)c1)[C@@H](OC(=O)c1cccc(C)c1)C(=O)OAglycone:
COc1ccc(Br)cc1N.Cc1cccc(C=O)c1.Cc1cccc(C=O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 570.39 | Num_heavy_atoms: | 37 |
| TPSA: | 128.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD44026
Formula: C8H8O
Smiles:
Cc1cccc(C=O)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD44740
Formula: C7H8ONBr
Smiles:
COc1ccc(Br)cc1N| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.05 | Num_heavy_atoms: | 10 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
