Glycoside
GD150180
Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-1-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-5-hydroxy-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C42H48O12N4Smiles:
CCc1nc[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:
CCc1nc[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: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.4 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 12 |
| MolWt: | 800.86 | Num_heavy_atoms: | 58 |
| TPSA: | 272.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD60004
Formula: C36H38O6N4
Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1O| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.72 | Num_heavy_atoms: | 46 |
| TPSA: | 173.0 | NumAromaticRings: | 4 |
