Glycoside
GD022830
Name:
NoneFormula:
C40H52O11N2Smiles:
COc1cc2c(O[C@@H]3OC[C@H](OC)[C@H](OC)[C@H]3OCCCCCCCN3CCN(C)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
CN1CCN(CCCCCCCO)CC1.COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 16 |
| MolWt: | 736.86 | Num_heavy_atoms: | 53 |
| TPSA: | 115.85 | 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 |
AD15429
Formula: C12H26ON2
Smiles:
CN1CCN(CCCCCCCO)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 214.35 | Num_heavy_atoms: | 15 |
| TPSA: | 26.71 | NumAromaticRings: | 0 |
