Glycoside
GD004658
Name:
NoneFormula:
C16H24O15N2P2Smiles:
O=c1ccn(C2O[C@H](COP(=O)(O)OP(=O)(O)CC3=CC(O)C(O)C(CO)O3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)CC1=CC(O)C(O)C(CO)O1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 546.32 | Num_heavy_atoms: | 35 |
| TPSA: | 267.53 | 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 |
AD04038
Formula: C8H16O10P2
Smiles:
COP(=O)(O)OP(=O)(O)CC1=CC(O)C(O)C(CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.15 | Num_heavy_atoms: | 20 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
