Glycoside
GD148121
Name:
6-{[2-carbamoyl-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxy-5-[({3-[2-(methylamino)ethyl]-6-phenylhex-5-en-1-yl}amino)methyl]oxane-2-carboxylic acidFormula:
C38H43O11N3Smiles:
CNCCC(CC=Cc1ccccc1)CCNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1OAglycone:
CNCCC(CC=Cc1ccccc1)CCNC.NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.34 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 16 |
| MolWt: | 717.77 | Num_heavy_atoms: | 52 |
| TPSA: | 234.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD46349
Formula: C16H11O5N
Smiles:
NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.27 | Num_heavy_atoms: | 22 |
| TPSA: | 113.76 | NumAromaticRings: | 3 |
AD47016
Formula: C16H26N2
Smiles:
CNCCC(CC=Cc1ccccc1)CCNC| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 246.4 | Num_heavy_atoms: | 18 |
| TPSA: | 24.06 | NumAromaticRings: | 1 |
