Glycoside
...
GD157271

Name:
None

Formula:
C44H45O15N3

Smiles:
CCC(O)C1(O)C(O)C(C(O)OC(=O)C(NCCC=O)C(=O)O)OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C1On1cc2cc[nH]c2c1-c1cc(C)cc(C)c1

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

Sugarmoiety:
CCC(O)C1(O)C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 8 FractionCSP3: 0.32
AlogP: 2.69 Num_rotatable_bonds: 16
MolWt: 855.85 Num_heavy_atoms: 62
TPSA: 272.47 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
AD45036
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 40.95 NumAromaticRings: 3
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

Sugarmoiety
SD04424

CCC(O)C1(O)C(O)C(O)OC(O)C1O