Glycoside
GD027560
Name:
NoneFormula:
C18H27O8N3Smiles:
COC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCC(=O)NC(CC(C)C)C(=O)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 413.43 | Num_heavy_atoms: | 29 |
| TPSA: | 159.95 | 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 |
AD18102
Formula: C10H19O3N
Smiles:
CCC(=O)NC(CC(C)C)C(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 201.27 | Num_heavy_atoms: | 14 |
| TPSA: | 55.4 | NumAromaticRings: | 0 |
