Glycoside
...
GD136573

Name:
2,6-dihydroxy-7-{[5-({4-hydroxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4b-methyl-2-(2-methylfuran-3-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-one

Formula:
C46H70O19

Smiles:
COC1CC(OC2CC3=CCC4C(=O)C(O)(c5ccoc5C)CCC4C3(C)CC2O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
Cc1occc1C1(O)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 7 FractionCSP3: 0.85
AlogP: 1.0 Num_rotatable_bonds: 12
MolWt: 927.05 Num_heavy_atoms: 65
TPSA: 264.12 NumAromaticRings: 1

Unique Aglycone
AD45120
Formula: C20H26O5

Smiles:
Cc1occc1C1(O)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.65
AlogP: 2.22 Num_rotatable_bonds: 1
MolWt: 346.42 Num_heavy_atoms: 25
TPSA: 90.9 NumAromaticRings: 1

Sugarmoiety
SD04625

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1