Glycoside
...
GD019590

Name:
None

Formula:
C77H89O8N7

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](OCc3ccc4ccccc4c3)[C@H]2OCCCCCCNC(=O)CCCC(=O)Nc2cccc(CN(Cc3ccccc3)Cc3ccccc3)c2)[C@H](N)[C@H](OCc2ccc3ccccc3c2)[C@H]1OCc1ccc2ccccc2c1

Aglycone:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCC(=O)Nc2cccc(CN(Cc3ccccc3)Cc3ccccc3)c2)C1O.OCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 11
HBD: 10 FractionCSP3: 0.35
AlogP: 11.73 Num_rotatable_bonds: 31
MolWt: 1240.6 Num_heavy_atoms: 92
TPSA: 220.9 NumAromaticRings: 9

Unique Aglycone
AD01045
Formula: C11H10O

Smiles:
OCc1ccc2ccccc2c1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.33 Num_rotatable_bonds: 1
MolWt: 158.2 Num_heavy_atoms: 12
TPSA: 20.23 NumAromaticRings: 2
AD13658
Formula: C49H61O5N5

Smiles:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCC(=O)Nc2cccc(CN(Cc3ccccc3)Cc3ccccc3)c2)C1O
HBA: 10 RingCount: 6
HBD: 7 FractionCSP3: 0.39
AlogP: 7.22 Num_rotatable_bonds: 22
MolWt: 800.06 Num_heavy_atoms: 59
TPSA: 152.17 NumAromaticRings: 5

Sugarmoiety
SD00112

NCC1OC(O)C(N)C(O)C1O