Glycoside
GD128262
Name:
3-[2,2-diamino-1-(3,4,5-trihydroxy-6-{[14-(hydroxymethoxy)-15-methoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl]oxy}oxan-2-yl)ethoxy]-3-oxopropanoic acidFormula:
C27H32O14N2Smiles:
COc1c(OCO)ccc2c1OC1c3ccc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3OCC21Aglycone:
COc1c(OCO)ccc2c1OC1c3ccc(O)cc3OCC21.NC(N)COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 251.94 | NumAromaticRings: | 2 |
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 |
AD51957
Formula: C17H16O6
Smiles:
COc1c(OCO)ccc2c1OC1c3ccc(O)cc3OCC21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
