Glycoside
GD131162
Name:
NoneFormula:
C35H42O12N4Smiles:
CNCCC(C)C(CNC(O)C1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1O)Cc1cc[nH]c1Aglycone:
CNCCC(C)C(CNCO)Cc1cc[nH]c1.NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.4 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 15 |
| MolWt: | 710.74 | Num_heavy_atoms: | 51 |
| TPSA: | 270.06 | NumAromaticRings: | 4 |
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 |
AD53149
Formula: C13H25ON3
Smiles:
CNCCC(C)C(CNCO)Cc1cc[nH]c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 239.36 | Num_heavy_atoms: | 17 |
| TPSA: | 60.08 | NumAromaticRings: | 1 |
