Glycoside
GD000825
Name:
NoneFormula:
C42H51O6N3Smiles:
Cc1ccc(CO[C@H]2[C@H](COCCCCCN)O[C@@H](OCCc3c[nH]c4ccccc34)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cn1Aglycone:
COCCCCCN.Cc1ccc(CO)cn1.OCCc1c[nH]c2ccccc12.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 7.06 | Num_rotatable_bonds: | 20 |
| MolWt: | 693.89 | Num_heavy_atoms: | 51 |
| TPSA: | 110.08 | NumAromaticRings: | 5 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00861
Formula: C6H15ON
Smiles:
COCCCCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 117.19 | Num_heavy_atoms: | 8 |
| TPSA: | 35.25 | NumAromaticRings: | 0 |
AD00862
Formula: C7H9ON
Smiles:
Cc1ccc(CO)cn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.16 | Num_heavy_atoms: | 9 |
| TPSA: | 33.12 | NumAromaticRings: | 1 |
AD00863
Formula: C10H11ON
Smiles:
OCCc1c[nH]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 36.02 | NumAromaticRings: | 2 |
