Glycoside
...
GD131964

Name:
None

Formula:
C46H49O13N3

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(COC(=O)C(C(=O)O)C(CCO)NC3CCCC3)C(O)C2O)c1

Aglycone:
COC(=O)C(C(=O)O)C(CCO)NC1CCCC1.Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 7 FractionCSP3: 0.37
AlogP: 4.58 Num_rotatable_bonds: 15
MolWt: 851.91 Num_heavy_atoms: 62
TPSA: 235.17 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
AD53433
Formula: C12H21O5N

Smiles:
COC(=O)C(C(=O)O)C(CCO)NC1CCCC1
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.83
AlogP: 0.14 Num_rotatable_bonds: 7
MolWt: 259.3 Num_heavy_atoms: 18
TPSA: 95.86 NumAromaticRings: 0

Sugarmoiety
SD00017

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