Glycoside
GD016590
Name:
NoneFormula:
C41H53O11NSmiles:
COc1cc2c(O[C@@H]3OC[C@H](OC)[C@H](OC)[C@H]3OCCCCCCCCN3CCCCC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3.OCCCCCCCCN1CCCCC1Sugarmoiety:
COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 6.9 | Num_rotatable_bonds: | 17 |
| MolWt: | 735.87 | Num_heavy_atoms: | 53 |
| TPSA: | 112.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00663
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
AD11928
Formula: C13H27ON
Smiles:
OCCCCCCCCN1CCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 213.36 | Num_heavy_atoms: | 15 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
