Glycoside
GD130516
Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-(3-{4-hydroxy-3-[(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:
C40H44O12N4Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C(=O)O)c1ccccc1Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.38 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 772.81 | Num_heavy_atoms: | 56 |
| TPSA: | 272.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD52890
Formula: C34H34O6N4
Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C(=O)O)c1ccccc1| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.67 | Num_heavy_atoms: | 44 |
| TPSA: | 173.0 | NumAromaticRings: | 4 |
