Glycoside
GD036127
Name:
NoneFormula:
C34H44O13NSmiles:
CC1OC(OC2CCCCC2OC2OC(CNC(=O)c3ccccc3)C(O)C(OC(Cc3ccccc3)C(=O)[O-])C2O)C(O)C(O)C1OAglycone:
CNC(=O)c1ccccc1.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: | 5 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 674.72 | Num_heavy_atoms: | 48 |
| TPSA: | 216.53 | NumAromaticRings: | 2 |
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 |
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
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 |
