Glycoside
GD111018
Name:
NoneFormula:
C29H27O11NSmiles:
CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1Aglycone:
CCOC(=O)c1cccc(N)c1.COc1cccc(C=O)c1.COc1cccc(C=O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 12 |
| MolWt: | 565.53 | Num_heavy_atoms: | 41 |
| TPSA: | 163.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD44013
Formula: C8H8O2
Smiles:
COc1cccc(C=O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44677
Formula: C9H11O2N
Smiles:
CCOC(=O)c1cccc(N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
