Glycoside
GD033258
Name:
NoneFormula:
C19H22O11N4Smiles:
O=C(OCc1ccc(O)cn1)[C@@H](O)[C@@H](O)C(=O)NC[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
Cc1ccc(O)cn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
O=C(NCC1OC(O)C(O)C1O)C(O)C(O)C(=O)OOOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.4 | Num_heavy_atoms: | 34 |
| TPSA: | 233.53 | 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 |
AD21243
Formula: C6H7ON
Smiles:
Cc1ccc(O)cn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 109.13 | Num_heavy_atoms: | 8 |
| TPSA: | 33.12 | NumAromaticRings: | 1 |
