Glycoside
GD125059
Name:
3,4,5-trihydroxy-6-({12-hydroxy-24,25-dimethoxy-22,30-dioxaheptacyclo[17.10.1.1³,â·.0â¹,¹â´.0¹âµ,²â°.0²¹,²â¹.0²³,²â¸]hentriaconta-3(31),4,6,9,11,13,15(20),16,18,23(28),24,26-dodecaen-17-yl}oxy)-2-[(methylamino)methyl]oxane-2-carboxylic acidFormula:
C39H39O12NSmiles:
CNCC1(C(=O)O)OC(Oc2cc3c4c(c2)-c2cc(O)ccc2Cc2cccc(c2)CC(O3)C2c3ccc(OC)c(OC)c3OC42)C(O)C(O)C1OAglycone:
COc1ccc2c(c1OC)OC1c3c4cc(O)cc3-c3cc(O)ccc3Cc3cccc(c3)CC(O4)C21Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 713.74 | Num_heavy_atoms: | 52 |
| TPSA: | 185.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD50567
Formula: C31H26O6
Smiles:
COc1ccc2c(c1OC)OC1c3c4cc(O)cc3-c3cc(O)ccc3Cc3cccc(c3)CC(O4)C21| HBA: | 6 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 494.54 | Num_heavy_atoms: | 37 |
| TPSA: | 77.38 | NumAromaticRings: | 4 |
