Glycoside
...
GD002845

Name:
DRACOTANOSIDE A

Formula:
C44H55O13N3

Smiles:
C[C@@H]1O[C@H](Oc2ccc([C@@H]3CCCN(C(=O)C=Cc4ccccc4)CCCNC(=O)CCN3)cc2)[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)c1ccccc1.O=C1CCNC(c2ccc(O)cc2)CCCN(C(=O)C=Cc2ccccc2)CCCN1

Sugarmoiety:
CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 7 FractionCSP3: 0.48
AlogP: 1.44 Num_rotatable_bonds: 10
MolWt: 833.93 Num_heavy_atoms: 60
TPSA: 225.81 NumAromaticRings: 3

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD02666
Formula: C25H31O3N3

Smiles:
O=C1CCNC(c2ccc(O)cc2)CCCN(C(=O)C=Cc2ccccc2)CCCN1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.36
AlogP: 3.26 Num_rotatable_bonds: 3
MolWt: 421.54 Num_heavy_atoms: 31
TPSA: 81.67 NumAromaticRings: 2

Sugarmoiety
SD00635

CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O