Glycoside
GD006612
Name:
NoneFormula:
C63H93O19N3Smiles:
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)N4CCOCC4)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)N4CCOCC4)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: | 13 | FractionCSP3: | 0.62 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 1196.44 | Num_heavy_atoms: | 85 |
| TPSA: | 358.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD05460
Formula: C57H82O16N2
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)N4CCOCC4)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 1051.28 | Num_heavy_atoms: | 75 |
| TPSA: | 293.31 | NumAromaticRings: | 1 |
