Glycoside
GD024851
Name:
NoneFormula:
C35H35O5N7Smiles:
O=C(CCCc1c[nH]c2ccccc12)NC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(Oc5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CNC(=O)CCCc1c[nH]c2ccccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 12 |
| MolWt: | 633.71 | Num_heavy_atoms: | 47 |
| TPSA: | 159.44 | NumAromaticRings: | 6 |
Unique Aglycone
AD00191
Formula: C18H14ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.34 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
AD16542
Formula: C13H16ON2
Smiles:
CNC(=O)CCCc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.28 | Num_heavy_atoms: | 16 |
| TPSA: | 44.89 | NumAromaticRings: | 2 |
