Glycoside
GD098731
Name:
NoneFormula:
C20H24O10N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)NCc2cc(=O)oc3cc4c(cc23)OCO4)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)NCc1cc(=O)oc2cc3c(cc12)OCO3Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.42 | Num_heavy_atoms: | 32 |
| TPSA: | 168.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD42001
Formula: C14H14O6N2
Smiles:
O=C(NCCO)NCc1cc(=O)oc2cc3c(cc12)OCO3| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.27 | Num_heavy_atoms: | 22 |
| TPSA: | 110.03 | NumAromaticRings: | 2 |
