Glycoside
GD005207
Name:
NoneFormula:
C70H108O19N6Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN(C)C)C(CC(OC4OC(C)C(O)C(NC(=O)CN5CCN(C)CC5)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Aglycone:
CN1CCN(CC(N)=O)CC1.CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN(C)C)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.64 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 17 |
| MolWt: | 1337.66 | Num_heavy_atoms: | 95 |
| TPSA: | 370.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD03046
Formula: C57H85O15N3
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN(C)C)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1| HBA: | 18 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.58 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 1052.31 | Num_heavy_atoms: | 75 |
| TPSA: | 296.11 | NumAromaticRings: | 1 |
AD04450
Formula: C7H15ON3
Smiles:
CN1CCN(CC(N)=O)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.22 | Num_heavy_atoms: | 11 |
| TPSA: | 49.57 | NumAromaticRings: | 0 |
