Glycoside
GD028088
Name:
NoneFormula:
C24H32O8N4Smiles:
COCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCC(=O)NC(Cc1ccccc1)C(=O)NCCCOC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 12 |
| MolWt: | 504.54 | Num_heavy_atoms: | 36 |
| TPSA: | 171.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD18388
Formula: C16H24O3N2
Smiles:
CCC(=O)NC(Cc1ccccc1)C(=O)NCCCOC| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 292.38 | Num_heavy_atoms: | 21 |
| TPSA: | 67.43 | NumAromaticRings: | 1 |
