Glycoside
GD003236
Name:
NoneFormula:
C29H42O13NSmiles:
CC(=O)NCC1OC(OC2CCCCC2OC2OC(C)C(O)C(O)C2O)C(O)C(OC(Cc2ccccc2)C(=O)[O-])C1OAglycone:
CNC(C)=O.O=C([O-])C(O)Cc1ccccc1.OC1CCCCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 612.65 | Num_heavy_atoms: | 43 |
| TPSA: | 216.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD02554
Formula: C9H9O3
Smiles:
O=C([O-])C(O)Cc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.17 | Num_heavy_atoms: | 12 |
| TPSA: | 60.36 | NumAromaticRings: | 1 |
