Glycoside
GD127904
Name:
(6-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-{[(tert-butoxy)carbonyl]amino}propanoateFormula:
C31H35O13NSmiles:
CC(N=C(O)OC(C)(C)C)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)C(O)C(O)C1OAglycone:
COC(=O)C(C)N=C(O)OC(C)(C)C.O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 629.62 | Num_heavy_atoms: | 45 |
| TPSA: | 195.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD20889
Formula: C17H12O5
Smiles:
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 296.28 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
AD51808
Formula: C9H17O4N
Smiles:
COC(=O)C(C)N=C(O)OC(C)(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 203.24 | Num_heavy_atoms: | 14 |
| TPSA: | 68.12 | NumAromaticRings: | 0 |
