Glycoside
GD021603
Name:
NoneFormula:
C29H28O10N4Smiles:
C[C@@H]1O[C@H](n2c3cc(O)ccc3c3c4c(c5c6ccc(O)cc6[nH]c5c32)C(=O)N(NC(CO)CO)C4=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)COSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 592.56 | Num_heavy_atoms: | 43 |
| TPSA: | 220.97 | NumAromaticRings: | 5 |
Unique Aglycone
AD01133
Formula: C23H18O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.42 | Num_heavy_atoms: | 33 |
| TPSA: | 161.91 | NumAromaticRings: | 5 |
