Glycoside
...
GD146982

Name:
Ra-Xv

Formula:
C48H60O15N6

Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(COC(C)=O)C(O)C(O)C4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1

Aglycone:
COC(C)=O.COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 6 FractionCSP3: 0.48
AlogP: 2.11 Num_rotatable_bonds: 7
MolWt: 961.04 Num_heavy_atoms: 69
TPSA: 282.61 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD58885
Formula: C40H48O9N6

Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1
HBA: 15 RingCount: 6
HBD: 4 FractionCSP3: 0.4
AlogP: 4.06 Num_rotatable_bonds: 3
MolWt: 756.86 Num_heavy_atoms: 55
TPSA: 197.39 NumAromaticRings: 3

Sugarmoiety
SD00017

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