Glycoside
GD021556
Name:
NoneFormula:
C30H35O6N5Smiles:
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@]2(O)C#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2(O)C#CC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 561.64 | Num_heavy_atoms: | 41 |
| TPSA: | 180.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD14727
Formula: C25H26O2N5
Smiles:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2(O)C#CC1=Nc2c(N)ncnc2[N]1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 428.52 | Num_heavy_atoms: | 32 |
| TPSA: | 118.72 | NumAromaticRings: | 2 |
