Glycoside
GD017002
Name:
NoneFormula:
C27H27O10N3Smiles:
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NOCC1O[C@H](O)C(O)[C@H](O)[C@H]1OAglycone:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NOCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 553.52 | Num_heavy_atoms: | 40 |
| TPSA: | 193.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD12181
Formula: C22H19O5N3
Smiles:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NOC| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 405.41 | Num_heavy_atoms: | 30 |
| TPSA: | 103.01 | NumAromaticRings: | 3 |
