Glycoside
GD125369
Name:
be-14324-113Formula:
C37H57O15NSmiles:
CC=C(C)C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(C)C=C(C)C=CCC(C)(O)C=Cc1nc(OC)c(OC)c(O)c1CAglycone:
CC=C(C)C(O)C(C)C=C(C)C=CCC(C)(O)C=Cc1nc(OC)c(OC)c(O)c1CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 16 |
| MolWt: | 755.85 | Num_heavy_atoms: | 53 |
| TPSA: | 250.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD49592
Formula: C25H37O5N
Smiles:
CC=C(C)C(O)C(C)C=C(C)C=CCC(C)(O)C=Cc1nc(OC)c(OC)c(O)c1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 431.57 | Num_heavy_atoms: | 31 |
| TPSA: | 92.04 | NumAromaticRings: | 1 |
