Glycoside
GD029479
Name:
NoneFormula:
C38H41O8N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NCc4ccc(C(=O)O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NCc1ccc(C(=O)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 15 |
| MolWt: | 751.8 | Num_heavy_atoms: | 55 |
| TPSA: | 241.95 | 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 |
AD19171
Formula: C31H29O4N8
Smiles:
O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NCc1ccc(C(=O)O)cc1| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.16 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 577.63 | Num_heavy_atoms: | 43 |
| TPSA: | 171.8 | NumAromaticRings: | 4 |
