Glycoside
GD127690
Name:
NoneFormula:
C30H39O10N3Smiles:
CNCCC1(C)Oc2cc3oc(C)cc(=O)c3cc2CC1OOCC(O)C(O)(Cn1ccc2[nH]ccc21)C(O)C(O)COAglycone:
CNCCC1(C)Oc2cc3oc(C)cc(=O)c3cc2CC1O.Cn1ccc2[nH]ccc21Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 13 |
| MolWt: | 601.65 | Num_heavy_atoms: | 43 |
| TPSA: | 191.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD45137
Formula: C7H8N2
Smiles:
Cn1ccc2[nH]ccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 20.72 | NumAromaticRings: | 2 |
AD51713
Formula: C17H21O4N
Smiles:
CNCCC1(C)Oc2cc3oc(C)cc(=O)c3cc2CC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.36 | Num_heavy_atoms: | 22 |
| TPSA: | 71.7 | NumAromaticRings: | 2 |
