Glycoside

GD130134
Name:
NoneFormula:
C37H39O13NSmiles:
CC(C)(C)OC(O)=NC(Cc1ccccc1)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)C(O)C(O)C1OAglycone:
COC(=O)C(Cc1ccccc1)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: | 6 |
HBD: | 4 | FractionCSP3: | 0.38 |
AlogP: | 3.3 | Num_rotatable_bonds: | 9 |
MolWt: | 705.71 | Num_heavy_atoms: | 51 |
TPSA: | 195.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD20889
Formula: C17H12O5
Smiles:
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12HBA: | 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 |
AD52728
Formula: C15H21O4N
Smiles:
COC(=O)C(Cc1ccccc1)N=C(O)OC(C)(C)CHBA: | 5 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.47 |
AlogP: | 2.5 | Num_rotatable_bonds: | 4 |
MolWt: | 279.34 | Num_heavy_atoms: | 20 |
TPSA: | 68.12 | NumAromaticRings: | 1 |