Glycoside
GD137133
Name:
NoneFormula:
C37H43O18N5Smiles:
N=C(N)NCCCC1(OC(=O)C2OC(Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3CC3=CNC(N)C=C3)C(O)C(O)C2O)OC(C(=O)O)C(O)C(O)C1OAglycone:
CCCNC(=N)N.NC1C=CC(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)=CN1Sugarmoiety:
O=C(OC1(O)OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 17 | FractionCSP3: | 0.41 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 845.77 | Num_heavy_atoms: | 60 |
| TPSA: | 403.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD09414
Formula: C4H11N3
Smiles:
CCCNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD51048
Formula: C21H18O6N2
Smiles:
NC1C=CC(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)=CN1| HBA: | 8 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.1 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 149.18 | NumAromaticRings: | 3 |
