Glycoside
GD024306
Name:
NoneFormula:
C37H41O6N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NCc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 14 |
| MolWt: | 707.79 | Num_heavy_atoms: | 52 |
| TPSA: | 204.65 | NumAromaticRings: | 5 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD16236
Formula: C30H29O2N8
Smiles:
O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NCc1ccccc1| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 533.62 | Num_heavy_atoms: | 40 |
| TPSA: | 134.5 | NumAromaticRings: | 4 |
