Glycoside
GD000645
Name:
NoneFormula:
C25H34O6N4Smiles:
Cc1cc(C)c(CN2CCN(C(=O)CC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)CC2)c(C)c1Aglycone:
CCC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.57 | Num_heavy_atoms: | 35 |
| TPSA: | 128.1 | NumAromaticRings: | 2 |
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 |
AD00699
Formula: C17H26ON2
Smiles:
CCC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.41 | Num_heavy_atoms: | 20 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
