Glycoside
...
GD156626

Name:
None

Formula:
C44H46O14N3

Smiles:
Cc1cc(C)cc(C2=C3N=CC=C3CN2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)OC(=O)C(C(=O)O)C3[NH2+]CCCC3CO)C(O)C2O)c1

Aglycone:
Cc1cc(C)cc(C2=C3N=CC=C3CN2O)c1.O=C(O)C(C(=O)OCO)C1[NH2+]CCCC1CO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 8 FractionCSP3: 0.36
AlogP: 1.5 Num_rotatable_bonds: 12
MolWt: 840.86 Num_heavy_atoms: 61
TPSA: 254.86 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
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
AD61998
Formula: C10H18O6N

Smiles:
O=C(O)C(C(=O)OCO)C1[NH2+]CCCC1CO
HBA: 7 RingCount: 1
HBD: 5 FractionCSP3: 0.8
AlogP: -2.49 Num_rotatable_bonds: 5
MolWt: 248.25 Num_heavy_atoms: 17
TPSA: 120.67 NumAromaticRings: 0

Sugarmoiety
SD00017

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