Glycoside
GD018003
Name:
NoneFormula:
C33H32O5N4Smiles:
O=c1c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H](O)[C@H]3O)c2ncn1CC1CC1Aglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.O=c1c2c(ncn1CC1CC1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.64 | Num_heavy_atoms: | 42 |
| TPSA: | 111.63 | NumAromaticRings: | 5 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD12777
Formula: C9H9ON4
Smiles:
O=c1c2c(ncn1CC1CC1)[N]C=N2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 189.2 | Num_heavy_atoms: | 14 |
| TPSA: | 61.35 | NumAromaticRings: | 1 |
