Glycoside
...
GD147411

Name:
4-[3a,5a-dihydroxy-9a-(hydroxymethyl)-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one

Formula:
C42H66O19

Smiles:
COC1CC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.93
AlogP: -2.12 Num_rotatable_bonds: 11
MolWt: 874.97 Num_heavy_atoms: 61
TPSA: 293.21 NumAromaticRings: 0

Unique Aglycone
AD07682
Formula: C23H34O6

Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 1.69 Num_rotatable_bonds: 2
MolWt: 406.52 Num_heavy_atoms: 29
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00089

COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O