Glycoside
GD121559
Name:
N-{[3,4-dihydroxy-5-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)oxolan-2-yl]methyl}benzamideFormula:
C20H29O6N3Smiles:
OC(CC1OC(CN=C(O)c2ccccc2)C(O)C1O)=NCCN1CCOCC1Aglycone:
CC(O)=NCCN1CCOCC1.CN=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 407.47 | Num_heavy_atoms: | 29 |
| TPSA: | 127.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD45716
Formula: C8H16O2N2
Smiles:
CC(O)=NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
AD47599
Formula: C8H9ON
Smiles:
CN=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
