Glycoside
...
GD153913

Name:
None

Formula:
C46H50O15N3

Smiles:
Cc1cc(C)cc(C2=C3N=CC=C3CN2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)OC(=O)C([NH2+]CCC=O)C(=O)O)C(O)C2(O)C(O)CC(C)C)c1

Aglycone:
CC(C)CCO.Cc1cc(C)cc(C2=C3N=CC=C3CN2O)c1.O=CCC[NH2+]C(C(=O)O)C(=O)OCO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 8 FractionCSP3: 0.37
AlogP: 1.85 Num_rotatable_bonds: 17
MolWt: 884.91 Num_heavy_atoms: 64
TPSA: 271.93 NumAromaticRings: 4

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
AD22273
Formula: C5H12O

Smiles:
CC(C)CCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 1.02 Num_rotatable_bonds: 2
MolWt: 88.15 Num_heavy_atoms: 6
TPSA: 20.23 NumAromaticRings: 0
AD45183
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(C2=C3N=CC=C3CN2O)c1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.21
AlogP: 2.69 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 35.83 NumAromaticRings: 1
AD45184
Formula: C7H12O6N

Smiles:
O=CCC[NH2+]C(C(=O)O)C(=O)OCO
HBA: 7 RingCount: 0
HBD: 4 FractionCSP3: 0.57
AlogP: -2.91 Num_rotatable_bonds: 7
MolWt: 206.17 Num_heavy_atoms: 14
TPSA: 117.51 NumAromaticRings: 0

Sugarmoiety
SD04461

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