Glycoside
GD154107
Name:
Icos#3Formula:
C24H31O7NSmiles:
CC1OC(OCCCCCCC=CC(=O)O)C(O)CC1OC(=O)c1c[nH]c2ccccc12Aglycone:
O=C(O)C=CCCCCCCO.O=C(O)c1c[nH]c2ccccc12Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 445.51 | Num_heavy_atoms: | 32 |
| 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 |
AD47861
Formula: C9H16O3
Smiles:
O=C(O)C=CCCCCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 172.22 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
