Glycoside
GD025679
Name:
NoneFormula:
C47H69O15NSmiles:
Cc1ccccc1NC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@@H]3CC[C@]4(C)C5C(=O)C[C@]6(C)C(CC7O[C@]8(CC[C@H](C)CO8)[C@H](C)C76)C5CC[C@H]4C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C.COC(=O)Nc1ccccc1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 888.06 | Num_heavy_atoms: | 63 |
| TPSA: | 232.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD01997
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD17004
Formula: C9H11O2N
Smiles:
COC(=O)Nc1ccccc1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
