Glycoside
GD153106
Name:
18-hydroxy-7-(hydroxymethyl)-17,21-dimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10-dioxa-23-azadecacyclo[14.11.1.1¹,¹².1²,âµ.1¹â¶,²â°.0²,¹¹.0¹³,²â¸.0¹â·,²âµ.0¹â¸,²³.0â¸,³¹]hentriaconta-6,13(28)-diene-3,29-dioneFormula:
C37H47O12NSmiles:
CC1CN2CC3CCC45CC(C6=C4C4(CC6)C(=O)C1CC2(O)C34C)C1OC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC3OC(=O)C15C32Aglycone:
CC1CN2CC3CCC45CC(C6=C4C4(CC6)C(=O)C1CC2(O)C34C)C1OC(O)C2C(CO)=CC3OC(=O)C15C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 11 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 697.78 | Num_heavy_atoms: | 50 |
| TPSA: | 195.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60919
Formula: C31H37O7N
Smiles:
CC1CN2CC3CCC45CC(C6=C4C4(CC6)C(=O)C1CC2(O)C34C)C1OC(O)C2C(CO)=CC3OC(=O)C15C32| HBA: | 8 | RingCount: | 10 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 535.64 | Num_heavy_atoms: | 39 |
| TPSA: | 116.53 | NumAromaticRings: | 0 |
