Glycoside
GD023388
Name:
NoneFormula:
C21H26O6N4Smiles:
CN(Cc1ccc2c(c1)CCCN2C)C(=O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CN(C=O)Cc1ccc2c(c1)CCCN2C.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.46 | Num_heavy_atoms: | 31 |
| TPSA: | 128.1 | 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 |
AD15738
Formula: C13H18ON2
Smiles:
CN(C=O)Cc1ccc2c(c1)CCCN2C| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.3 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
