Glycoside
GD013804
Name:
NoneFormula:
C30H43O15N3P2Smiles:
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CC[C@@]2(O)C(=O)COP(=O)(O)OP(=O)(O)OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 747.63 | Num_heavy_atoms: | 50 |
| TPSA: | 287.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD10242
Formula: C22H34O11P2
Smiles:
COP(=O)(O)OP(=O)(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.45 | Num_heavy_atoms: | 35 |
| TPSA: | 176.89 | NumAromaticRings: | 0 |
