Glycoside
GD002553
Name:
NoneFormula:
C29H26O8N2Smiles:
O=C(OC[C@@H]1O[C@H](N2CCNC2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C1NCCN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.53 | Num_heavy_atoms: | 39 |
| TPSA: | 120.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD02426
Formula: C3H6ON2
Smiles:
O=C1NCCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
