Glycoside
...
GD124696

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-9a,11a-dimethyl-1-(2-oxopropyl)-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate

Formula:
C48H72O19

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: 9 FractionCSP3: 0.83
AlogP: 0.09 Num_rotatable_bonds: 13
MolWt: 953.09 Num_heavy_atoms: 67
TPSA: 290.05 NumAromaticRings: 1

Unique Aglycone
AD50391
Formula: C29H40O5

Smiles:
CC(=O)CC1CC(OC(=O)c2ccccc2)C2(O)C3CCC4CC(O)CCC4(C)C3CCC12C
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.72
AlogP: 4.94 Num_rotatable_bonds: 4
MolWt: 468.63 Num_heavy_atoms: 34
TPSA: 83.83 NumAromaticRings: 1

Sugarmoiety
SD06362

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