Glycoside
GD013643
Name:
NoneFormula:
C33H29O14N3Smiles:
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4ccc(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O)c([N+](=O)[O-])c4)ccc3nc2-1Aglycone:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4ccc(O)c([N+](=O)[O-])c4)ccc3nc2-1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 691.6 | Num_heavy_atoms: | 50 |
| TPSA: | 250.24 | NumAromaticRings: | 4 |
Unique Aglycone
AD10148
Formula: C27H21O8N3
Smiles:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4ccc(O)c([N+](=O)[O-])c4)ccc3nc2-1| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 515.48 | Num_heavy_atoms: | 38 |
| TPSA: | 154.02 | NumAromaticRings: | 4 |
