Glycoside
GD034334
Name:
NoneFormula:
C19H21O8N3Smiles:
O=C(CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)NCc1ccc2c(c1)OCO2Aglycone:
CCC(=O)NCc1ccc2c(c1)OCO2.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.39 | Num_heavy_atoms: | 30 |
| TPSA: | 152.11 | 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 |
AD21835
Formula: C11H13O3N
Smiles:
CCC(=O)NCc1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
