Glycoside
...
GD114403

Name:
None

Formula:
C53H62O17N4

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(NCC(O)C3CCCC3)OC(=O)C(NCCC=O)C(=O)O)C(O)(CO)C2(O)C(O)CCCO)c1

Aglycone:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=CCCNC(C(=O)O)C(=O)OCNCC(O)C1CCCC1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.OCCCCO

Sugarmoiety:
OCC1(O)C(O)OC(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.43
AlogP: 2.56 Num_rotatable_bonds: 23
MolWt: 1027.09 Num_heavy_atoms: 74
TPSA: 324.96 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
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
AD45037
Formula: C14H24O6N2

Smiles:
O=CCCNC(C(=O)O)C(=O)OCNCC(O)C1CCCC1
HBA: 8 RingCount: 1
HBD: 4 FractionCSP3: 0.79
AlogP: -0.74 Num_rotatable_bonds: 11
MolWt: 316.35 Num_heavy_atoms: 22
TPSA: 124.96 NumAromaticRings: 0

Sugarmoiety
SD04362

OCC1(O)C(O)OC(O)C(O)C1(O)O