Glycoside
...
GD125811

Name:
None

Formula:
C48H53O17N3

Smiles:
Cc1cc(CCCCO)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)OC(=O)C(NCCC=O)C(=O)O)C(O)C2(O)C(O)CCCO)c1

Aglycone:
Cc1cc(CCCCO)cc(-c2c3[nH]ccc3cn2O)c1.O=CCCNC(C(=O)O)C(=O)OCO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.OCCCCO

Sugarmoiety:
OC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 10 FractionCSP3: 0.38
AlogP: 2.06 Num_rotatable_bonds: 22
MolWt: 943.96 Num_heavy_atoms: 68
TPSA: 312.93 NumAromaticRings: 6

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD09062
Formula: C4H10O2

Smiles:
OCCCCO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.25 Num_rotatable_bonds: 3
MolWt: 90.12 Num_heavy_atoms: 6
TPSA: 40.46 NumAromaticRings: 0
AD45394
Formula: C7H11O6N

Smiles:
O=CCCNC(C(=O)O)C(=O)OCO
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -1.89 Num_rotatable_bonds: 7
MolWt: 205.17 Num_heavy_atoms: 14
TPSA: 112.93 NumAromaticRings: 0
AD45525
Formula: C17H20O2N2

Smiles:
Cc1cc(CCCCO)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.29
AlogP: 3.5 Num_rotatable_bonds: 5
MolWt: 284.36 Num_heavy_atoms: 21
TPSA: 61.18 NumAromaticRings: 3

Sugarmoiety
SD04461

OC1OC(O)C(O)C(O)(O)C1O