Glycoside
GD138453
Name:
NoneFormula:
C44H48O12N4Smiles:
CNCCC(CC=Cc1ccccc1)C(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1(O)C=O)Cc1cc[nH]c1Aglycone:
CNCCC(CC=Cc1ccccc1)C(CNC)Cc1cc[nH]c1.NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1Sugarmoiety:
O=CC1(O)C(O)C(C(=O)O)OC(O)C1(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.32 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 19 |
| MolWt: | 824.88 | Num_heavy_atoms: | 60 |
| TPSA: | 266.9 | NumAromaticRings: | 5 |
Unique Aglycone
AD46349
Formula: C16H11O5N
Smiles:
NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.27 | Num_heavy_atoms: | 22 |
| TPSA: | 113.76 | NumAromaticRings: | 3 |
AD50335
Formula: C21H31N3
Smiles:
CNCCC(CC=Cc1ccccc1)C(CNC)Cc1cc[nH]c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 325.5 | Num_heavy_atoms: | 24 |
| TPSA: | 39.85 | NumAromaticRings: | 2 |
