Glycoside
GD002086
Name:
NoneFormula:
C53H105O9NSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](COCCC)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.CCCOCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 11.92 | Num_rotatable_bonds: | 47 |
| MolWt: | 900.42 | Num_heavy_atoms: | 63 |
| TPSA: | 157.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD00325
Formula: C44H89O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.66 | Num_rotatable_bonds: | 41 |
| MolWt: | 696.2 | Num_heavy_atoms: | 49 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
AD01544
Formula: C4H10O
Smiles:
CCCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
