Glycoside
GD133059
Name:
3-[2,2-diamino-1-(3,4,5-trihydroxy-6-{[3-(1H-indol-3-yl)-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}oxan-2-yl)ethoxy]-3-oxopropanoic acidFormula:
C35H37O13N3Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3-c3c[nH]c4ccccc34)OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3c[nH]c4ccccc34)OCC21.NC(N)COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 707.69 | Num_heavy_atoms: | 51 |
| TPSA: | 247.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD45165
Formula: C5H10O4N2
Smiles:
NC(N)COC(=O)CC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 115.64 | NumAromaticRings: | 0 |
AD53499
Formula: C25H21O5N
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3c[nH]c4ccccc34)OCC21| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 415.45 | Num_heavy_atoms: | 31 |
| TPSA: | 72.94 | NumAromaticRings: | 4 |
