Glycoside
GD151601
Name:
Icas#14Formula:
C23H31O7NSmiles:
CC(CCCCCC(=O)O)OC1OC(C)C(OC(=O)c2c[nH]c3ccccc23)CC1OAglycone:
CC(O)CCCCCC(=O)O.O=C(O)c1c[nH]c2ccccc12Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 433.5 | Num_heavy_atoms: | 31 |
| TPSA: | 118.08 | 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 |
AD51041
Formula: C8H16O3
Smiles:
CC(O)CCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 160.21 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
