Glycoside
GD140033
Name:
6-(3-amino-3-carboxypropanoyl)-4-oxo-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydro-1H-10-oxa-1,5-diazatetraphene-2-carboxylic acidFormula:
C26H25O13N3Smiles:
NC(CC(=O)c1cccc2c1Nc1c(cc(OC3OC(CO)C(O)C(O)C3O)c3[nH]c(C(=O)O)cc(=O)c13)O2)C(=O)OAglycone:
NC(CC(=O)c1cccc2c1Nc1c(cc(O)c3[nH]c(C(=O)O)cc(=O)c13)O2)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.31 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 587.49 | Num_heavy_atoms: | 42 |
| TPSA: | 271.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD56459
Formula: C20H15O8N3
Smiles:
NC(CC(=O)c1cccc2c1Nc1c(cc(O)c3[nH]c(C(=O)O)cc(=O)c13)O2)C(=O)O| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.1 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.35 | Num_heavy_atoms: | 31 |
| TPSA: | 192.04 | NumAromaticRings: | 3 |
