Glycoside
GD032571
Name:
NoneFormula:
C66H100O18N4Smiles:
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)NCCN4CCCCC4)C(CC(OC4OC(C)C(O)C(N)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Aglycone:
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)NCCN4CCCCC4)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.64 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 14 |
| MolWt: | 1237.54 | Num_heavy_atoms: | 88 |
| TPSA: | 360.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD20877
Formula: C60H89O15N3
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)NCCN4CCCCC4)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.6 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 1092.38 | Num_heavy_atoms: | 78 |
| TPSA: | 296.11 | NumAromaticRings: | 1 |
