Glycoside
GD128427
Name:
NoneFormula:
C27H40O7N2Smiles:
CC12Cc3cnn(C4OC(C(=O)O)C(O)C(O)C4O)c3CC1CCC1C2CCC2(C)C1CCC2(C)OAglycone:
CC12CC3=C(CC1CCC1C2CCC2(C)C1CCC2(C)O)[N]N=C3Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 504.62 | Num_heavy_atoms: | 36 |
| TPSA: | 145.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD52017
Formula: C21H31ON2
Smiles:
CC12CC3=C(CC1CCC1C2CCC2(C)C1CCC2(C)O)[N]N=C3| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 327.49 | Num_heavy_atoms: | 24 |
| TPSA: | 46.69 | NumAromaticRings: | 0 |
