Glycoside
GD015819
Name:
NoneFormula:
C25H26O10N4Smiles:
NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)NC(C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 542.5 | Num_heavy_atoms: | 39 |
| TPSA: | 226.43 | NumAromaticRings: | 3 |
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 |
AD11448
Formula: C17H18O5N2
Smiles:
NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)NCC(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 121.88 | NumAromaticRings: | 2 |
