Glycoside
GD155451
Name:
NoneFormula:
C41H50O12N4Smiles:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)COAglycone:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O.Cc1ccc(O)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 17 |
| MolWt: | 790.87 | Num_heavy_atoms: | 57 |
| TPSA: | 244.62 | NumAromaticRings: | 5 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
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 |
