Glycoside
GD114863
Name:
4-{[(diaminomethylidene)azaniumyl]methyl}-6-({2-[2-(8-formyl-8-hydroxy-4b,5,6,7,8,8a-hexahydrophenanthren-9-yl)-4-hydroxyphenyl]-5,6-dihydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C38H37O14N3Smiles:
N=C(N)NCC1(O)C(O)C(Oc2cc3oc(-c4ccc(O)cc4C4=Cc5ccccc5C5CCCC(O)(C=O)C45)cc(=O)c3c(O)c2O)OC(C(=O)O)C1OAglycone:
CNC(=N)N.O=CC1(O)CCCC2c3ccccc3C=C(c3cc(O)ccc3-c3cc(=O)c4c(O)c(O)c(O)cc4o3)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.32 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 759.72 | Num_heavy_atoms: | 55 |
| TPSA: | 306.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD01954
Formula: C2H7N3
Smiles:
CNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.1 | Num_heavy_atoms: | 5 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD45326
Formula: C30H24O8
Smiles:
O=CC1(O)CCCC2c3ccccc3C=C(c3cc(O)ccc3-c3cc(=O)c4c(O)c(O)c(O)cc4o3)C21| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 512.51 | Num_heavy_atoms: | 38 |
| TPSA: | 148.43 | NumAromaticRings: | 4 |
