Glycoside
...
GD153653

Name:
7-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-1-(2-hydroxypropyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate

Formula:
C48H74O19

Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(CC(C)O)CC(OC(=O)c5ccccc5)C43O)C2)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC(O)CC1CC(OC(=O)c2ccccc2)C2(O)C3CCC4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.85
AlogP: -0.12 Num_rotatable_bonds: 13
MolWt: 955.1 Num_heavy_atoms: 67
TPSA: 293.21 NumAromaticRings: 1

Unique Aglycone
AD61082
Formula: C29H42O5

Smiles:
CC(O)CC1CC(OC(=O)c2ccccc2)C2(O)C3CCC4CC(O)CCC4(C)C3CCC12C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.76
AlogP: 4.73 Num_rotatable_bonds: 4
MolWt: 470.65 Num_heavy_atoms: 34
TPSA: 86.99 NumAromaticRings: 1

Sugarmoiety
SD06362

COC1C(O)C(O)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O