Glycoside
GD121008
Name:
Ibha#28Formula:
C31H47O8NSmiles:
CC(CCCCCCCCCCCC(O)CC(=O)O)OC1OC(C)C(OC(=O)c2c[nH]c3ccccc23)CC1OAglycone:
CC(O)CCCCCCCCCCCC(O)CC(=O)O.O=C(O)c1c[nH]c2ccccc12Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 18 |
| MolWt: | 561.72 | Num_heavy_atoms: | 40 |
| TPSA: | 138.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD45110
Formula: C9H7O2N
Smiles:
O=C(O)c1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 53.09 | NumAromaticRings: | 2 |
AD48667
Formula: C16H32O4
Smiles:
CC(O)CCCCCCCCCCCC(O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 14 |
| MolWt: | 288.43 | Num_heavy_atoms: | 20 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
