Glycoside
GD013401
Name:
NoneFormula:
C67H103O19N5Smiles:
CNc1ccc(C(=O)CC(O)CC[C@H](C)[C@@H]2OC(=O)C[C@H](O)CC(=O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@H](C(=O)NCCN(C)C)C(C[C@H](OC4O[C@H](C)[C@H](O)[C@H](NC(=O)CN(C)C)[C@H]4O)C=CC=CC=CC=CC=CC=CC=C[C@H]2C)O3)cc1Aglycone:
CN(C)CC(N)=O.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: | 24 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.63 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 17 |
| MolWt: | 1282.58 | Num_heavy_atoms: | 91 |
| TPSA: | 367.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD03045
Formula: C4H10ON2
Smiles:
CN(C)CC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.14 | Num_heavy_atoms: | 7 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
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 |
