Glycoside
GD130601
Name:
4-{[(diaminomethylidene)azaniumyl]methyl}-3,4,5-trihydroxy-6-[(1,2,8-trihydroxy-12-oxo-11,12-dihydro-10H-5-oxatetraphen-3-yl)oxy]oxane-2-carboxylateFormula:
C25H25O12N3Smiles:
N=C(N)NCC1(O)C(O)C(Oc2cc3oc4c(c(=O)c3c(O)c2O)CCc2cc(O)ccc2-4)OC(C(=O)O)C1OAglycone:
CNC(=N)N.O=c1c2c(oc3cc(O)c(O)c(O)c13)-c1ccc(O)cc1CC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.32 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 559.48 | Num_heavy_atoms: | 40 |
| TPSA: | 269.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD01954
Formula: C2H7N3
Smiles:
CNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.1 | Num_heavy_atoms: | 5 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD52925
Formula: C17H12O6
Smiles:
O=c1c2c(oc3cc(O)c(O)c(O)c13)-c1ccc(O)cc1CC2| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
