Glycoside
GD130391
Name:
7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-10,14-dimethyl-21-oxa-19-azahexacyclo[13.6.2.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹â¶,²â°]tricosan-18-oneFormula:
C41H65O12NSmiles:
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C7CCC65OC5N=C(O)CC57)C4)OC3C)OC2C)CC(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C3CCC12OC1N=C(O)CC13Sugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 763.97 | Num_heavy_atoms: | 54 |
| TPSA: | 178.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD52841
Formula: C23H35O3N
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C3CCC12OC1N=C(O)CC13| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 373.54 | Num_heavy_atoms: | 27 |
| TPSA: | 62.05 | NumAromaticRings: | 0 |
