Glycoside
GD000666
Name:
NoneFormula:
C30H55O9N4PSmiles:
CCCCCCCCCCCCCCCOP(=O)(CCN1C[C@H](N)[C@H](O)C1)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCOP(=O)(CCN1CC(N)C(O)C1)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 22 |
| MolWt: | 646.76 | Num_heavy_atoms: | 44 |
| TPSA: | 189.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00719
Formula: C22H47O4N2P
Smiles:
CCCCCCCCCCCCCCCOP(=O)(CCN1CC(N)C(O)C1)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 19 |
| MolWt: | 434.6 | Num_heavy_atoms: | 29 |
| TPSA: | 85.02 | NumAromaticRings: | 0 |
