Glycoside
...
GD140480

Name:
3-({6-[2-amino-3-(methylamino)propoxy]-5-[(16-{[3-(cyclohexylmethyl)-5-hydroxyphenyl]methyl}-9-(2-methylpropyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13(18),14,16-hexaen-15-yl)peroxy]-3,4-dihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acid

Formula:
C47H60O15N2

Smiles:
CNCC(N)COC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OOc1cc2c(cc1Cc1cc(O)cc(CC3CCCCC3)c1)OCC1c3cc4c(c(CC(C)C)c3OC21)OCO4

Aglycone:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)c(Cc5cc(O)cc(CC6CCCCC6)c5)cc4OCC31)OCO2.CNCC(N)CO.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 7 FractionCSP3: 0.57
AlogP: 4.35 Num_rotatable_bonds: 18
MolWt: 893.0 Num_heavy_atoms: 64
TPSA: 236.18 NumAromaticRings: 3

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD46145
Formula: C4H12ON2

Smiles:
CNCC(N)CO
HBA: 3 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -1.47 Num_rotatable_bonds: 3
MolWt: 104.15 Num_heavy_atoms: 7
TPSA: 58.28 NumAromaticRings: 0
AD55274
Formula: C34H38O7

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)c(Cc5cc(O)cc(CC6CCCCC6)c5)cc4OCC31)OCO2
HBA: 7 RingCount: 7
HBD: 2 FractionCSP3: 0.47
AlogP: 7.49 Num_rotatable_bonds: 7
MolWt: 558.67 Num_heavy_atoms: 41
TPSA: 86.61 NumAromaticRings: 3

Sugarmoiety
SD00017

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