Glycoside
...
GD130221

Name:
methyl 6-[(8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-{[(2-methylbut-2-enoyl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

Formula:
C48H76O16

Smiles:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)OC)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2O

Aglycone:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2O

Sugarmoiety:
COC(=O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 8 FractionCSP3: 0.88
AlogP: 2.43 Num_rotatable_bonds: 9
MolWt: 909.12 Num_heavy_atoms: 64
TPSA: 251.36 NumAromaticRings: 0

Unique Aglycone
AD52772
Formula: C35H56O5

Smiles:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.86
AlogP: 6.6 Num_rotatable_bonds: 3
MolWt: 556.83 Num_heavy_atoms: 40
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD01259

COC(=O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O