Glycoside
GD015031
Name:
NoneFormula:
C34H32O7N4Smiles:
COC(=O)C=CCn1cnc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H]2O)c1=OAglycone:
COC(=O)C=CCn1cnc2c(c1=O)N=C[N]2.COC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 608.65 | Num_heavy_atoms: | 45 |
| TPSA: | 137.93 | 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 |
AD10987
Formula: C10H9O3N4
Smiles:
COC(=O)C=CCn1cnc2c(c1=O)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 233.21 | Num_heavy_atoms: | 17 |
| TPSA: | 87.65 | NumAromaticRings: | 1 |
