Glycoside
GD128195
Name:
NoneFormula:
C34H44O11N4Smiles:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OOCC(O)C(O)C(O)C(O)COAglycone:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 15 |
| MolWt: | 684.74 | Num_heavy_atoms: | 49 |
| TPSA: | 224.39 | NumAromaticRings: | 4 |
Unique Aglycone
AD50516
Formula: C28H32O5N4
Smiles:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 504.59 | Num_heavy_atoms: | 37 |
| TPSA: | 125.01 | NumAromaticRings: | 4 |
