Glycoside
GD148891
Name:
3-{2-amino-2-azaniumyl-1-[3,4,5-trihydroxy-6-({3-[4-(hydroxyamino)phenyl]-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxan-2-yl]ethoxy}-3-oxopropanoateFormula:
C33H37O14N3Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3-c3ccc(NO)cc3)OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(NO)cc3)OCC21.NC(N)COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 699.67 | Num_heavy_atoms: | 50 |
| TPSA: | 263.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD45165
Formula: C5H10O4N2
Smiles:
NC(N)COC(=O)CC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 115.64 | NumAromaticRings: | 0 |
AD56321
Formula: C23H21O6N
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(NO)cc3)OCC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.42 | Num_heavy_atoms: | 30 |
| TPSA: | 89.41 | NumAromaticRings: | 3 |
