Glycoside
GD090976
Name:
NoneFormula:
C20H23O10NSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cc2cc(=O)oc3cc4c(cc23)OCO4)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(Cc1cc(=O)oc2cc3c(cc12)OCO3)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.4 | Num_heavy_atoms: | 31 |
| TPSA: | 156.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD39623
Formula: C14H13O6N
Smiles:
O=C(Cc1cc(=O)oc2cc3c(cc12)OCO3)NCCO| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.26 | Num_heavy_atoms: | 21 |
| TPSA: | 98.0 | NumAromaticRings: | 2 |
