Glycoside
GD126428
Name:
Ibho#26Formula:
C30H45O8NSmiles:
CC1OC(OCCCCCCCCCCCCC(O)CC(=O)O)C(O)CC1OC(=O)c1c[nH]c2ccccc12Aglycone:
O=C(O)CC(O)CCCCCCCCCCCCO.O=C(O)c1c[nH]c2ccccc12Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 18 |
| MolWt: | 547.69 | Num_heavy_atoms: | 39 |
| 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 |
AD47593
Formula: C15H30O4
Smiles:
O=C(O)CC(O)CCCCCCCCCCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 14 |
| MolWt: | 274.4 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
