Glycoside
GD013279
Name:
NoneFormula:
C31H53O8N5Smiles:
CCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@H]([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CN)N1C(C)=OAglycone:
CCCCCCCCCCCCCCCCNC(=O)C1COC(CN)N1C(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 19 |
| MolWt: | 623.79 | Num_heavy_atoms: | 44 |
| TPSA: | 189.21 | 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 |
AD09930
Formula: C23H45O3N3
Smiles:
CCCCCCCCCCCCCCCCNC(=O)C1COC(CN)N1C(C)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 17 |
| MolWt: | 411.63 | Num_heavy_atoms: | 29 |
| TPSA: | 84.66 | NumAromaticRings: | 0 |
