Glycoside
GD139693
Name:
3874 H2Formula:
C59H88O18N2Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)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)CCCC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.61 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 1113.35 | Num_heavy_atoms: | 79 |
| TPSA: | 348.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD56332
Formula: C53H77O15N
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 968.19 | Num_heavy_atoms: | 69 |
| TPSA: | 284.0 | NumAromaticRings: | 1 |
