Glycoside
GD136116
Name:
16-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-2(10),4,6,8,18-pentaene-12,19-dicarboxylic acidFormula:
C27H32O11N2Smiles:
CC1OC=C(C(=O)O)C2CC3c4[nH]c5ccc(OC6OC(CO)C(O)C(O)C6O)cc5c4CC(C(=O)O)N3CC12Aglycone:
CC1OC=C(C(=O)O)C2CC3c4[nH]c5ccc(O)cc5c4CC(C(=O)O)N3CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.56 | Num_heavy_atoms: | 40 |
| TPSA: | 202.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD55019
Formula: C21H22O6N2
Smiles:
CC1OC=C(C(=O)O)C2CC3c4[nH]c5ccc(O)cc5c4CC(C(=O)O)N3CC12| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.42 | Num_heavy_atoms: | 29 |
| TPSA: | 123.09 | NumAromaticRings: | 2 |
