Glycoside
GD112412
Name:
NoneFormula:
C31H45O8N7Smiles:
O=C(NC1CCCCC1)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](OC(=O)NC2CCCCC2)[C@@H]1OC(=O)NC1CCCCC1Aglycone:
COC(=O)NC1CCCCC1.O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 643.74 | Num_heavy_atoms: | 46 |
| TPSA: | 187.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD02813
Formula: C8H15O2N
Smiles:
COC(=O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
AD03076
Formula: C7H13O2N
Smiles:
O=C(O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.19 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
