Glycoside
...
GD114753

Name:
None

Formula:
C45H47O16N3

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)(CO)OC(=O)C(C(=O)O)C3(O)NCCCC3CO)C(O)C2O)c1

Aglycone:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=C(O)C(C(=O)OC(O)CO)C1(O)NCCCC1CO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.36
AlogP: 1.66 Num_rotatable_bonds: 13
MolWt: 885.88 Num_heavy_atoms: 64
TPSA: 295.86 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
AD45260
Formula: C11H19O8N

Smiles:
O=C(O)C(C(=O)OC(O)CO)C1(O)NCCCC1CO
HBA: 9 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -2.78 Num_rotatable_bonds: 6
MolWt: 293.27 Num_heavy_atoms: 20
TPSA: 156.55 NumAromaticRings: 0

Sugarmoiety
SD00017

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