Glycoside
GD146023
Name:
3-[(5,6,6a,7,8,9,10,10a-octahydrophenanthridin-10a-yl)methyl]-1-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-5-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C44H50O11N4Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4OC(CO)C(O)C(O)C4O)c(O)cc3C(CC34CCCCC3CNc3ccccc34)C2C(=O)O)ccc1OAglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC34CCCCC3CNc3ccccc34)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 11 |
| MolWt: | 810.9 | Num_heavy_atoms: | 59 |
| TPSA: | 238.16 | NumAromaticRings: | 4 |
Unique Aglycone
AD53797
Formula: C38H40O6N4
Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC34CCCCC3CNc3ccccc34)C2C(=O)O)ccc1O| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.34 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.76 | Num_heavy_atoms: | 48 |
| TPSA: | 159.01 | NumAromaticRings: | 4 |
