Glycoside
GD022249
Name:
NoneFormula:
C35H32O14N2Smiles:
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)OCc4ccc(O[C@@H]5O[C@H](C(=O)OC)[C@H](O)[C@H](O)[C@H]5O)cc4)ccc3nc2-1Aglycone:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)OCc4ccc(O)cc4)ccc3nc2-1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.34 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 704.64 | Num_heavy_atoms: | 51 |
| TPSA: | 222.4 | NumAromaticRings: | 4 |
Unique Aglycone
AD15105
Formula: C28H22O8N2
Smiles:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)OCc4ccc(O)cc4)ccc3nc2-1| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.49 | Num_heavy_atoms: | 38 |
| TPSA: | 137.18 | NumAromaticRings: | 4 |
