Glycoside
GD125839
Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-{3-[4-hydroxy-3-({4-[2-(methylamino)ethyl]-1H-imidazol-5-yl}methyl)phenyl]prop-2-enoyl}-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C43H51O12N5Smiles:
CNCCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1OAglycone:
CNCCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.42 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 14 |
| MolWt: | 829.9 | Num_heavy_atoms: | 60 |
| TPSA: | 284.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD50895
Formula: C37H41O6N5
Smiles:
CNCCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1O| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 11 |
| MolWt: | 651.76 | Num_heavy_atoms: | 48 |
| TPSA: | 185.03 | NumAromaticRings: | 4 |
