Glycoside
GD114359
Name:
RoureminFormula:
C45H87O9NSmiles:
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC1OC(CN)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 9.75 | Num_rotatable_bonds: | 39 |
| MolWt: | 786.19 | Num_heavy_atoms: | 55 |
| TPSA: | 157.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD45011
Formula: C39H76O5
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 11.96 | Num_rotatable_bonds: | 36 |
| MolWt: | 625.03 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
