Glycoside
GD039785
Name:
(2~{s},3~{s},4~{s})-2-[(1~{r})-2-azanyl-1-[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{n}-[(3~{s})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{h}-pyran-6-carboxamideFormula:
C23H31O12N5Smiles:
CO[C@@H]1[C@@H](O)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1[C@@H](O[C@H]1OC(C(=O)N[C@@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O)C(N)=OAglycone:
NC(=O)COC1OC(C(=O)NC2CCCCNC2=O)=CC(O)C1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 569.52 | Num_heavy_atoms: | 40 |
| TPSA: | 253.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01638
Formula: C14H21O7N3
Smiles:
NC(=O)COC1OC(C(=O)NC2CCCCNC2=O)=CC(O)C1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.34 | Num_heavy_atoms: | 24 |
| TPSA: | 160.21 | NumAromaticRings: | 0 |
