Glycoside
GD124002
Name:
methyl 14-ethenyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,21-dioxa-8,18-diazahexacyclo[9.9.1.0¹,â¹.0²,â·.0â¹,¹â·.0¹â°,¹âµ]henicosa-2,4,6-triene-10-carboxylateFormula:
C27H34O10N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC2OC34CCNC5CC1C2(C(=O)OC)C53Nc1ccccc14Aglycone:
C=CC1C(O)OC2OC34CCNC5CC1C2(C(=O)OC)C53Nc1ccccc14Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 168.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD50068
Formula: C21H24O5N2
Smiles:
C=CC1C(O)OC2OC34CCNC5CC1C2(C(=O)OC)C53Nc1ccccc14| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 89.05 | NumAromaticRings: | 1 |
