Glycoside
...
GD142418

Name:
1-(7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-1,3a,3b,11-tetrahydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl 2-methylbut-2-enoate

Formula:
C47H76O17

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(O)C12C

Aglycone:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 6 FractionCSP3: 0.89
AlogP: 2.72 Num_rotatable_bonds: 12
MolWt: 913.11 Num_heavy_atoms: 64
TPSA: 230.75 NumAromaticRings: 0

Unique Aglycone
AD57315
Formula: C26H40O7

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.81
AlogP: 2.14 Num_rotatable_bonds: 3
MolWt: 464.6 Num_heavy_atoms: 33
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1