Glycoside
GD030580
Name:
NoneFormula:
C23H32O10N3PSmiles:
CC(C)OC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)O[C@H](C)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@](C)(O)[C@H]1OAglycone:
CCOP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 541.49 | Num_heavy_atoms: | 37 |
| TPSA: | 178.41 | NumAromaticRings: | 2 |
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 |
AD19786
Formula: C14H22O5NP
Smiles:
CCOP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 315.31 | Num_heavy_atoms: | 21 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
