Glycoside
GD000940
Name:
NoneFormula:
C21H29O6N3Smiles:
O=C([C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)N(CCC1=CCCCC1)CC1CC1Aglycone:
O=CN(CCC1=CCCCC1)CC1CC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.48 | Num_heavy_atoms: | 30 |
| TPSA: | 124.86 | NumAromaticRings: | 1 |
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 |
AD00981
Formula: C13H21ON
Smiles:
O=CN(CCC1=CCCCC1)CC1CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 207.32 | Num_heavy_atoms: | 15 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
