Glycoside
GD148595
Name:
NoneFormula:
C29H37O10N3Smiles:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OOCC(O)C(O)C(O)C(O)COAglycone:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 587.63 | Num_heavy_atoms: | 42 |
| TPSA: | 191.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD47300
Formula: C23H25O4N3
Smiles:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.47 | Num_heavy_atoms: | 30 |
| TPSA: | 92.42 | NumAromaticRings: | 4 |
