Glycoside
GD151679
Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-[3-(4-hydroxy-3-{4-[(methylamino)methyl]-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-7-yl}phenyl)prop-2-enoyl]-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C45H53O12N5Smiles:
CNCC1CCC(c2cc(C=CC(=O)N3c4cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)c2[nH]cnc21Aglycone:
CNCC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)c2[nH]cnc21Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 855.94 | Num_heavy_atoms: | 62 |
| TPSA: | 284.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD60463
Formula: C39H43O6N5
Smiles:
CNCC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)c2[nH]cnc21| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 677.8 | Num_heavy_atoms: | 50 |
| TPSA: | 185.03 | NumAromaticRings: | 4 |
