Glycoside
GD014616
Name:
NoneFormula:
C29H52O10N3PSmiles:
CCCCCCCCCCCCCCOP(=O)(CCN1C[C@H](O)[C@H](O)C1)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCOP(=O)(CCN1CC(O)C(O)C1)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 21 |
| MolWt: | 633.72 | Num_heavy_atoms: | 43 |
| TPSA: | 183.78 | 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 |
AD10723
Formula: C21H44O5NP
Smiles:
CCCCCCCCCCCCCCOP(=O)(CCN1CC(O)C(O)C1)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 18 |
| MolWt: | 421.56 | Num_heavy_atoms: | 28 |
| TPSA: | 79.23 | NumAromaticRings: | 0 |
