Glycoside
GD030533
Name:
NoneFormula:
C21H31O15N3Smiles:
CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1[C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)COAglycone:
CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1Sugarmoiety:
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | -6.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 565.49 | Num_heavy_atoms: | 39 |
| TPSA: | 307.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD19753
Formula: C10H11O5N3
Smiles:
CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.21 | Num_heavy_atoms: | 18 |
| TPSA: | 127.27 | NumAromaticRings: | 1 |
