Glycoside
GD105340
Name:
NoneFormula:
C27H25O8NSmiles:
COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)c1Aglycone:
COc1cccc(N)c1.Cc1ccc(C=O)cc1.Cc1ccc(C=O)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 491.5 | Num_heavy_atoms: | 36 |
| TPSA: | 128.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD01408
Formula: C8H8O
Smiles:
Cc1ccc(C=O)cc1| 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 |
AD20206
Formula: C7H9ON
Smiles:
COc1cccc(N)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.15 | Num_heavy_atoms: | 9 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
