Glycoside
GD031814
Name:
5-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-({2-oxo-1,6-diazatetracyclo[7.6.1.0âµ,¹â¶.0¹â°,¹âµ]hexadeca-3,5(16),6,8,10(15),11,13-heptaen-8-yl}oxy)oxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C31H34O15N2Smiles:
C[C@](O)(CC(=O)O)CC(=O)OC[C@@H]1O[C@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.O=c1ccc2ncc(O)c3c4ccccc4n1c23Sugarmoiety:
OCC1(O)COC(OC2C(O)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 674.61 | Num_heavy_atoms: | 48 |
| TPSA: | 256.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD20470
Formula: C14H8O2N2
Smiles:
O=c1ccc2ncc(O)c3c4ccccc4n1c23| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 236.23 | Num_heavy_atoms: | 18 |
| TPSA: | 54.6 | NumAromaticRings: | 4 |
